RSC - Phys. Chem. Chem. Phys. latest articleshttp://pubs.rsc.org/en/Journals/Journal/CPRSC - Phys. Chem. Chem. Phys. latest articlesCopyright (c) The Royal Society of ChemistryTue, 19 Mar 2024 02:17:43 ZRSC - Phys. Chem. Chem. Phys. latest articleshttp://pubs.rsc.org/content/NewImages/rsc_publishing_logo.gifRSC - Phys. Chem. Chem. Phys. latest articleshttp://pubs.rsc.org/en/Journals/Journal/CPhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00362Dhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00362DDensity functional study on the photocatalytic degradation of polycaprolactone by decatungstate anion in acetonitrile solution<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00362D, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Noriyuki Minezawa, Kosuke Suzuki, Susumu Okazaki<br/>A recent experimental study has reported that decatungstate [W<small><sub>10</sub></small>O<small><sub>32</sub></small>]<small><sup>4−</sup></small> can degrade various polyesters in the presence of light and molecular oxygen [Li et al., Nanoscale, 2023, 15, 15038]. We apply...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-19T00:00:00ZNoriyuki MinezawaKosuke SuzukiSusumu Okazakihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00107Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00107ATransition Metal Single–atom Supported on Hexagonal ZnIn2S4 Monolayer for Hydrogen Evolution Reaction<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00107A, Paper</div><div>Xiujuan Cheng, Kunyang Cheng, Xuying Zhou, Mingyang Shi, Gang Jiang, Jiguang Du<br/>Herein, we report a series of 5d transition metal (TM) single atoms supported on ZIS as promising catalysts for the hydrogen evolution reaction by first–principles calculations. The binding behaviors of...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-19T00:00:00ZXiujuan ChengKunyang ChengXuying ZhouMingyang ShiGang JiangJiguang Duhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06013Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06013FSurface Hopping Simulations on Charge Photogeneration in Conjugated Polymers<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06013F, Paper</div><div>Zhen Sun, Sheng Li, Yan Meng, Zhong An<br/>The mechanism of charge photogeneration in neat conjugated polymers has long been controversial and an unified explanation is not achieved so far. In this paper, we use the surface hopping...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZZhen SunSheng LiYan MengZhong Anhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05520Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05520EAdsorbate Dissociation Due to Heteromolecular Electronic Energy Transfer from Fluorobenzene Thin Films<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05520E, Paper</div><div>Erik Jensen<br/>Study of the near-UV photodissociation dynamics for monolayer (ML) quantities of CH<small><sub>3</sub></small>I on thin films of a series of fluorobenzenes and benzene (1--25ML) grown on a Cu(100) substrate finds that...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZErik Jensenhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00761Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00761AUnderstanding and Fine Tuning the Propensity of ATP-Driven Liquid-Liquid Phase Separation with Oligolysine<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00761A, Paper</div><div>Qiang Zhu, Yongxian Wu, Ray Luo<br/>Liquid-Liquid Phase Separation (LLPS) plays a pivotal role in the organization and functionality of living cells. It is imperative to understand the underlying driving forces behind LLPS and to control...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZQiang ZhuYongxian WuRay Luohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06312Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06312GAccessing the Usefulness of Atomic Adsorption Configurations in Predicting the Adsorption Properties of Molecules with Machine Learning<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06312G, Paper</div><div>Walter F Malone, Johnathan van der Hyde, Abdelkader Kara<br/>We present a systematic study into the effect of adding atomic adsorption configurations into the training and validation dataset for a neural network’s predictions of the adsorption energies of small...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZWalter F MaloneJohnathan van der HydeAbdelkader Karahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06235Jhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06235JEvolution of the Atomic and Electronic Structures of CuO Clusters: A Comprehensive Study Using DFT Approach<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06235J, Paper</div><div>Soumitra Das, Sandeep Nigam, Pramod Sharma, Chiranjib Majumder<br/>One of the most fundamental aspects of cluster science is to understand the structural evolution at the atomic scale. In this connection, here we report a comprehensive study of the...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZSoumitra DasSandeep NigamPramod SharmaChiranjib Majumderhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05762Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05762CInsights on adsorption of pyocyanin in montmorillonite using molecular dynamics simulation<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05762C" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05762C, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Bidemi Fashina, Youjun Deng, Tahir Cagin, Randall Cygan<br/>This experiment-guided molecular simulation study provided insight on the interaction mechanisms between montmorillonite and different species (neutral and protonated) of pyocyanin at different moisture conditions.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZBidemi FashinaYoujun DengTahir CaginRandall Cyganhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00176Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00176AFirst principles predictions of structural, electronic and topological properties of two-dimensional Janus TiNX$_{0.5}$I$_{0.5}$ (X = Br, Cl) structures<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00176A, Paper</div><div>Shiladitya Karmakar, Soumendu Datta, Tanusri Saha-Dasgupta<br/>Motivated by the report of the Giant Rashba effect in ternary layered compounds BiTeX, we consider two Janus structured compounds TiNX$_{0.5}$I$_{0.5}$ (X = Br, Cl) in the same ternary family...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZShiladitya KarmakarSoumendu DattaTanusri Saha-Dasguptahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00157Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00157EReactivity of quasi-free electrons toward N3- and its impact on H2 formation mechanism in water radiolysis<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00157E, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Denis Dobrovolskii, Sergey A. Denisov, Howard E. Sims, M. Mostafavi<br/>Picosecond pulse radiolysis measurements were employed to assess the effectiveness of N3- in scavenging quasi-free electrons in aqueous solutions. The absorption spectra of hydrated electrons were recorded within a 100...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZDenis DobrovolskiiSergey A. DenisovHoward E. SimsM. Mostafavihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05383Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05383KStudy of the magnetism of C-doped MgO based on First-principles and Ising model<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05383K, Paper</div><div>Rui-Da Chen, Jiajun Mo, Fei Mao<br/>The electronic and magnetic properties of <em>d</em><small><sup>0</sup></small> dilute magnetic semiconductor formed by rock-salt structured magnesium oxide (MgO) doped with C are systematically studied based on first-principles calculations and Ising model....<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZRui-Da ChenJiajun MoFei Maohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00228Hhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00228HSynthesis and Characterization of Azaborepin Radical in Solid Neon through Boron-Mediated C−N Bond Cleavage of Pyridine<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00228H, Paper</div><div>Xin Xu, Yi-Kang Zhu, Chuan-Ming Dai, Jiaping Xu, Jiwen Jian<br/>The reactivity of pyridine is a complex topic due to its unique electronic structure. The reactions of atomic boron with pyridine molecules in solid neon have been investigated using matrix...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZXin XuYi-Kang ZhuChuan-Ming DaiJiaping XuJiwen Jianhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05964Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05964BVibrational Dynamics and Spectroscopy of Water at Porous g-C3N4 and C2N Materials<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05964B, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Deepak Ojha, Christopher Penschke, Peter Saalfrank<br/>Porous graphitic materials containing nitrogen are promising catalysts for photo(electro)- chemical reactions, notably water splitting, but can also serve as “molecular sieves”. Hearby nitrogen, among other effects, increases the hydrophilicity...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZDeepak OjhaChristopher PenschkePeter Saalfrankhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00318Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00318GLarge valley polarization and valley-dependent Hall effect in Janus TiTeBr monolayer<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00318G, Paper</div><div>Bingwen Su, Xiao Peng, Zhibo Yan, Lin Lin, Xiaokun Huang, Junming Liu<br/>Ferrovalley materials hold great promise for implementation of logic and memory devices in valleytronics. However, there have so far been limited ferrovalley materials exhibiting significant valley polarization and high Curie...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZBingwen SuXiao PengZhibo YanLin LinXiaokun HuangJunming Liuhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06222Hhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06222HMethane dimer rovibrational states and Raman transition moments<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06222H" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06222H, Paper</div><div>Alberto Martín Santa Daría, Gustavo Avila, Edit Mátyus<br/>Benchmark-quality rovibrational data are reported for the methane dimer from variational nuclear motion computations using an <em>ab initio</em> intermolecular potential energy surface reported.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZAlberto Martín Santa DaríaGustavo AvilaEdit Mátyushttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04027Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04027ETuning the electronic structure of gold cluster-assembled materials by altering organophosphine ligands<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP04027E, Paper</div><div>Celina Sikorska, Emma Vincent, Andreas Schnepf, Nicola Gaston<br/>Superatomic clusters can be assembled to build bulk matter, where the individual characteristics are preserved. The main benefit of these materials over conventional bulk species is the capability to tailor...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZCelina SikorskaEmma VincentAndreas SchnepfNicola Gastonhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00659Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00659CRecent progress in the advanced strategies, rational designs, and engineering of electrocatalysts for nitrate reduction toward ammonia<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00659C, Review Article</div><div>Faiza Shafiq, Lei Yang, Weihua Zhu<br/>Ammonia is a valuable feedstock for most chemicals, pharmaceuticals, and fertilizer products. It is a promising carbon-free energy source. Under severe experimental circumstances (high temperature and high pressure), ammonia is...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZFaiza ShafiqLei YangWeihua Zhuhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06099Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06099CInvestigation of the effects on proton relaxation times upon encapsulation in a water-soluble synthetic receptor<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06099C" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06099C, Paper</div><div>Krishna N. Chaudhary, Kyra I. Brosnahan, Lucas J. Gibson-Elias, Jose L. Moreno, Briana L. Hickey, Richard J. Hooley, Bethany G. Caulkins<br/>The <em>T</em><small><sub>1</sub></small> and <em>T</em><small><sub>2</sub></small> relaxation rates of different protons in small cyclic and polycyclic guests can be controlled by encapsulation in a water-soluble synthetic receptor.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZKrishna N. ChaudharyKyra I. BrosnahanLucas J. Gibson-EliasJose L. MorenoBriana L. HickeyRichard J. HooleyBethany G. Caulkinshttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00099Dhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00099DShell-thermal dependency: highly sensitive core-shell CdSe/ZnS/POSS-based temperature probe<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00099D, Paper</div><div>Jiannan Sun, Ke Yan, Aizhao Pan, Pan Zhang, Xuehang Chen, Xinyi Shi, Chengyu Shi<br/>Fluorescent nanothermometry based on quantum dots is a current research hotspot for novel non-contact temperature monitoring, which is of vital significance for the modulation and design of sensing properties of...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZJiannan SunKe YanAizhao PanPan ZhangXuehang ChenXinyi ShiChengyu Shihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00201Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00201FStudy on lattice dynamics and thermal conductivity of fluorite AF2 (A = Ca, Sr, Ba) based on first principles<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00201F, Paper</div><div>PeiPei Liu, Yinchang Zhao, Xichang Wang, Jun Ni, Zhenhong Dai<br/>The fluorite materials has received particular attention in electron optics due to its favorable optical properties. However, further exploration of these materials in the field of Thermoelectric (TE) is hampered...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZPeiPei LiuYinchang ZhaoXichang WangJun NiZhenhong Daihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05999Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05999EAsymmetric XMoGeY2 (X = S, Se, Te; Y = N, P, As) monolayers as potential flexible materials for nano piezoelectric devices and nanomedical sensors<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05999E, Paper</div><div>Zujun Li, Jiasheng Luo, Yushan Zhou, Jiawei Chen, Haojun Ling, Jun Zeng, Yujue Yang, Huafeng Dong<br/>Highly efficient nano piezoelectric devices and nanomedical sensors are in great demand to High-performance piezoelectric materials. In this work, we propose new asymmetric XMoGeY2 (X = S, Se, Te; Y...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZZujun LiJiasheng LuoYushan ZhouJiawei ChenHaojun LingJun ZengYujue YangHuafeng Donghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05425Jhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05425JNeural network potential energy surface assisted molecular dynamics study on pyrolysis behavior of two spiro-hydrocarbons<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05425J, Paper</div><div>Hang Xiao, Bin Yang<br/>The Spiro-hydrocarbons are potentially a type of novel alternative jet fuel for their high density and net heat of combustion. In this work, the pyrolysis study of two spiro-hydrocarbons (spiro[cyclopropane-1,6’-tricyclo[3.2.1.02,4]octane]...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-18T00:00:00ZHang XiaoBin Yanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04097Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04097FReduction-enhanced water flux through layered graphene oxide (GO) membranes stabilized with H3O+ and OH− ions<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP04097F" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP04097F, Paper</div><div>Abhijit Gogoi, Erik C. Neyts, François M. Peeters<br/>Water flux of layered graphene oxide (GO) membranes stabilized with H<small><sub>3</sub></small>O<small><sup>+</sup></small>/OH<small><sup>−</sup></small> ions can be enhanced by reducing the constituent GO nanosheets.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZAbhijit GogoiErik C. NeytsFrançois M. Peetershttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06301Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06301ATheoretical insight into the doubly antiaromatic carbon allotrope cyclo[16]carbon<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06301A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06301A, Paper</div><div>Hao Li, Rakesh Parida, Shaul Mukamel, Jin Yong Lee<br/>C<small><sub>16</sub></small> has a planar structure characterized by alternating long and short bonds with <em>D</em><small><sub>8h</sub></small>, and its strong antiaromatic characteristic originates from the two perpendicular π systems.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZHao LiRakesh ParidaShaul MukamelJin Yong Leehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06021Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06021GPhonon thermophoresis of crystalline nanoparticles in liquids<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06021G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06021G, Paper</div><div>Semen N. Semenov, Martin E. Schimpf<br/>Our nonequilibrium thermodynamic model is used to examine the role of thermal phonons in the thermophoresis.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-12T00:00:00ZSemen N. SemenovMartin E. Schimpfhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05718Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05718FPrecise molecular engineering for the preparation of pyridinium photosensitizers with efficient ROS generation and photothermal conversion<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05718F" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05718F, Paper</div><div>Weidong Yin, Jianqing Li, Yucheng Ma, Weiqiang Li, Yanping Huo, Zujin Zhao, Shaomin Ji<br/>Precise molecular design enables wavelength regulation, ROS enhancement, and photothermal conversion.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-09T00:00:00ZWeidong YinJianqing LiYucheng MaWeiqiang LiYanping HuoZujin ZhaoShaomin Jihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06004Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06004GStrain-induced excellent photocatalytic performance in Z-scheme BlueP/γ-SnS heterostructures for water splitting<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06004G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06004G, Paper</div><div>Quan Li, Jiabao Wang, Hao Huang, Guangting Zhao, Ling-Ling Wang, Xiaojun Zhu<br/>Biaxial strain can effectively regulate the band edges and alignments of BlueP/γ-SnS heterostructures, thus achieving high solar-to-hydrogen efficiency in both Z-scheme and type-I heterojunctions under compressive strains.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-08T00:00:00ZQuan LiJiabao WangHao HuangGuangting ZhaoLing-Ling WangXiaojun Zhuhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00302Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00302KTitanium nitride-based hyperbolic metamaterial for near-infrared ultrasensitive sensing of microbes<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00302K" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00302K, Paper</div><div>Dip Sarker, Ahmed Zubair<br/>An ultrasensitive near-infrared hyperbolic metamaterial-based microbe sensor using titanium nitride nanowire was engineered and analyzed.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-07T00:00:00ZDip SarkerAhmed Zubairhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06321Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06321FStructure, stability, reactivity and bonding in noble gas compounds<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06321F" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06321F, Perspective</div><div>Ranita Pal, Pratim Kumar Chattaraj<br/>Most commonly acknowledged as the least reactive element group in the periodic table, noble gases can form complexes under nearly ambient conditions. This Perspective spans their theoretical prediction and bonding categories.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-07T00:00:00ZRanita PalPratim Kumar Chattarajhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00665Hhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00665HUltrafast spectroscopy of the hydrophilic carotenoid crocin at various pH<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00665H" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00665H, Paper</div><div>Emrah Özcan, Ivana Šímová, David Bína, Radek Litvín, Tomáš Polívka<br/>Exploring effect of pH on excited state dynamics of the hydrophilic carotenoid crocin demonstrates pH-dependent alterations of crocin photophysics, suggesting structural modifications caused by pH change.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-07T00:00:00ZEmrah ÖzcanIvana ŠímováDavid BínaRadek LitvínTomáš Polívkahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05693Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05693GInfluence of defects on the linear and nonlinear optical properties of Cu-doped rutile TiO2 microflowers<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05693G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05693G, Paper</div><div>Subhashree Sahoo, Km. Surbhi, Sourav Bhakta, Ritwick Das, Pratap K. Sahoo<br/>Defects and disorders play as controlling parameters to alter the electronic structure of TiO<small><sub>2</sub></small> nanostructures and significantly influence their electronic, magnetic, linear, and nonlinear optical (NLO) properties.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-05T00:00:00ZSubhashree SahooKm. SurbhiSourav BhaktaRitwick DasPratap K. Sahoohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP03990Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP03990KConstruction of a novel S-type γ-Bi2O3/CeO2 heterojunction for highly efficient photocatalytic degradation of antibiotics<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP03990K" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP03990K, Paper</div><div>Jun Cao, Shuai Liu, Jiawei Wu, Bangfu Ding, Liang Mao, Lei Zhang, Shukai Zheng, Junying Zhang<br/>A novel S-type γ-Bi<small><sub>2</sub></small>O<small><sub>3</sub></small>/CeO<small><sub>2</sub></small> heterojunction was constructed for highly efficient removal of lomefloxacin and tetracycline.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-05T00:00:00ZJun CaoShuai LiuJiawei WuBangfu DingLiang MaoLei ZhangShukai ZhengJunying Zhanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00028Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00028EEffect of carbon allotropes and thickness variation on the EMI shielding properties of PANI/NFO@CNTs and PANI/NFO@RGO ternary composite systems<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00028E" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00028E, Paper</div><div>Syeda Javaria Kazmi, Saeed Ur Rehman, M. Nadeem, Ubaid Ur Rehman, Shahzad Hussain, Sadia Manzoor<br/>The innovative design of thin, multiphase flexible composite systems with good mechanical properties, low density and improved EMI shielding properties at low filler content has become a key area of research.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-05T00:00:00ZSyeda Javaria KazmiSaeed Ur RehmanM. NadeemUbaid Ur RehmanShahzad HussainSadia Manzoorhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05817Dhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05817DComplexes of phosphine oxides with substituted phenols: hydrogen bond characterization based on shifts of PO stretching bands<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05817D" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05817D, Paper</div><div>Mikhail A. Kostin, Omar Alkhuder, Luhang Xu, Danil V. Krutin, Ruslan E. Asfin, Peter M. Tolstoy<br/>The shift of the PO stretching band in the IR spectra allows one to measure the strength of hydrogen bonds in complexes with phosphine oxides.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-05T00:00:00ZMikhail A. KostinOmar AlkhuderLuhang XuDanil V. KrutinRuslan E. AsfinPeter M. Tolstoyhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05818Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05818BComposite interfaces of g-C3N4 fragments loaded on a Cu substrate for CO2 reduction<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05818B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05818B, Paper</div><div>Qiang Gong, Jianling Xiong, Tanyu Zhou, Wenkai Bao, Xiuyun Zhang, Guiwu Liu, Guanjun Qiao, Ziwei Xu<br/>The composite interfaces of g-C<small><sub>3</sub></small>N<small><sub>4</sub></small> fragments loaded on different Cu facets show competitive CO<small><sub>2</sub></small>RR catalytic performance with high efficiency and product selectivity.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-04T00:00:00ZQiang GongJianling XiongTanyu ZhouWenkai BaoXiuyun ZhangGuiwu LiuGuanjun QiaoZiwei Xuhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00206Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00206GExperimental and theoretical insights into the supercapacitive performance of interconnected WS2 nanosheets<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00206G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00206G, Paper</div><div>Shilpi Sengupta, Silda Peters, Tumpa Sadhukhan, Manab Kundu<br/>Transition metal dichalcogenides (TMDs) are fascinating and prodigious considerations in the electrochemical energy storage sector because of their two dimensional chemistry as well as heterogeneous characteristics.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-01T00:00:00ZShilpi SenguptaSilda PetersTumpa SadhukhanManab Kunduhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05740Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05740BExploring the fluorescence properties of tellurium-containing molecules and their advanced applications<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05740B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05740B, Review Article</div><div>Avtar Singh, Jaspreet Dhau, Rajeev Kumar, Rahul Badru, Ajeet Kaushik<br/>Fluorescence exploration of organochalcogen molecules, emphasizing tellurium (Te) presented; discussed organotellurium probes for ROS, biological molecules, and metal ions detection.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZAvtar SinghJaspreet DhauRajeev KumarRahul BadruAjeet Kaushikhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06211Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06211BPattern-illumination time-resolved phase microscopy and its applications for photocatalytic and photovoltaic materials<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06211B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06211B, Review Article</div><div>Kenji Katayama<br/>Charge carrier types (dynamics) can be mapped out for photocatalysts.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-24T00:00:00ZKenji Katayamahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05475Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05475FExploring mechanochemistry of pharmaceutical cocrystals: effect of incident angle on molecular mixing during simulated indentations of two organic solids<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05475F" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05475F, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Michael Ferguson, Tomislav Friščić<br/>Simulated indentation experiments reveal how the incident angle and speed affect connective neck formation, material transfer, and structural disruption; important parameters for the mechanochemical cocrystallisation of theophylline and citric acid.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-21T00:00:00ZMichael FergusonTomislav Friščićhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00026Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00026AIR spectroscopic characterization of 3d transition metal carbene cations, FeCH2+ and CoCH2+: periodic trends and a challenge for DFT approaches<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00026A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00026A, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Frank J. Wensink, Corry E. Smink, P. B. Armentrout, Joost M. Bakker<br/>A combination of IR multiple-photon dissociation (IRMPD) action spectroscopy and quantum chemical calculations was employed to investigate the [M,C,2H]<small><sup>+</sup></small> (M = Fe and Co) species.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-07T00:00:00ZFrank J. WensinkCorry E. SminkP. B. ArmentroutJoost M. Bakkerhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06209Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06209KReverse charge transfer and decomposition in Ca-Te compounds under high pressure<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06209K, Paper</div><div>Yang Lv, Jianfu Li, Zhaobin Zhang, Yanlei Geng, Zhen-Zhen Xu, Yong Liu, Jianan Yuan, Qinglin Wang, Xiaoli Wang<br/>Pressure alters the nature of chemical bonds and triggers novel reactions. Here, we employed first-principles calculations combined with the CALYPSO structural search technique to reveal the charge transfer reversal between...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-16T00:00:00ZYang LvJianfu LiZhaobin ZhangYanlei GengZhen-Zhen XuYong LiuJianan YuanQinglin WangXiaoli Wanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05610Dhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05610DTheoretical dynamics studies of the CH3 + HBr -> CH4 + Br reaction: effects of isotope substitution and vibrational excitation of CH3<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05610D, Paper</div><div>Peter Szabo, György Lendvay<br/>In this work, we determined the reaction rate coefficient for the deuterium substituted reactions of CH<small><sub>3</sub></small> + HBr -&gt; CH<small><sub>4</sub></small> + Br using the quasiclassical trajectory (QCT) method in combination...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZPeter SzaboGyörgy Lendvayhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06227Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06227ATime-Resolved Quantification of Key Species and Mechanistic Insights in Low-Temperature Tetrahydrofuran Oxidation<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06227A, Paper</div><div>Maria Demireva, Leonid Sheps, Kendrew Au, Nils Hansen<br/>We investigate the kinetics and report the time-resolved concentrations of key chemical species in the oxidation of tetrahydrofuran (THF) at 7500 Torr and 450–675 K. Experiments are carried out using...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZMaria DemirevaLeonid ShepsKendrew AuNils Hansenhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00091Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00091AIs Azulene's local aromaticity and relative stability driven by the Glidewell–Lloyd rule?<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00091A, Paper</div><div>Rodrigo Báez-Grez, Ricardo Pino-Rios<br/>The local aromaticity of azulene has been studied to understand this compound's electronic properties. For this purpose, we have used the magnetic criterion through magnetically induced current density maps, ring...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZRodrigo Báez-GrezRicardo Pino-Rioshttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00443Dhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00443DCoincidence mass spectrometry study of double ionization of pyrene by 70 eV electron impact<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00443D, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Peter J. M. van der Burgt, Marcin L. Gradziel<br/>We have performed coincidence mass spectrometry of fragmentation of pyrene molecules by 70 eV electron impact. Ionized fragments have been mass selected using a reflectron time-of-flight mass spectrometer, and a...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZPeter J. M. van der BurgtMarcin L. Gradzielhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00653Dhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00653DUnrivaled accuracy in measuring rotational transitions of greenhouse gases: THz CRDS of CF4<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00653D, Paper</div><div>Fabien Simon, Arnaud Cuisset, Coralie Elmaleh, Francis Hindle, Gaël MOURET, Michael Rey, Cyril Richard, Vincent Boudon<br/>Tetrafluoromethane CF<small><sub>4</sub></small> is the most abundant perfluorocarbon in the atmosphere, where it is designated as PFC-14. This greenhouse gas is very stable, has an atmospheric lifetime of 50,000 years, and...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZFabien SimonArnaud CuissetCoralie ElmalehFrancis HindleGaël MOURETMichael ReyCyril RichardVincent Boudonhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00325Jhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00325JMicro-kinetic Modelling of CO Reduction Reaction on Single Atom Catalysts Accelerated by Machine Learning<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00325J, Paper</div><div>Qing-Meng Zhang, Zhao-Yu Wang, Hao Zhang, Xiaohong Liu, Wei Zhang, Liu-Bin Zhao<br/>Electrochemical CO2 transformation to fuels and chemicals is an effective strategy for conversion of renewable electric energy into storable chemical energy combining with reducing green-house gas emission. Metal-nitrogen-carbon (M-N-C) single...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZQing-Meng ZhangZhao-Yu WangHao ZhangXiaohong LiuWei ZhangLiu-Bin Zhaohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05709Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05709GThermal decomposition mechanism of RDX/AP composites: ab initio neural network MD simulations<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05709G, Paper</div><div>Kehui Pang, Mingjie Wen, Xiaoya Chang, Yabei Xu, Qingzhao Chu, Dongping Chen<br/>A neural network potential (NNP) is developed to investigate the decomposition mechanism of RDX, AP, and their composites. Utilizing an ab initio dataset, the NNP is evaluated in terms of...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZKehui PangMingjie WenXiaoya ChangYabei XuQingzhao ChuDongping Chenhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00671Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00671BSolvent-Induced Dual Nucleophiles and the α-Effect in the S N 2 versus E2 Competition<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00671B, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Xiangyu Wu, F. Matthias Bickelhaupt, Jing Xie<br/>We have quantum chemically investigated how microsolvation affects the various E2 and S<small><sub>N</sub></small>2 pathways, their mutual competition, as well as the a-effect of the model reaction system HOO<small><sup>−</sup></small>(H<small><sub>2</sub></small>O)<small><sub>n</sub></small> + CH<small><sub>3</sub></small>CH<small><sub>2</sub></small>Cl, at the...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZXiangyu WuF. Matthias BickelhauptJing Xiehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06049Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06049GCharacterization of Sm3+-Activated Carbonated Calcium Chlorapatite Phosphors for Theranostic Applications: A Comparative Study of Co-precipitation and Hydrothermal Methods<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06049G, Paper</div><div>Katarzyna Szyszka, Rafal Jakub Wiglusz<br/>Continuous efforts are ongoing to discover new luminescent materials with appropriate properties for applications in medicine, serving as theranostic agents for healing and bioimaging. In this paper, the novel single-phase...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZKatarzyna SzyszkaRafal Jakub Wigluszhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05659Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05659GSearching low-energy conformers of neutral and protonated di-, tri-, and tetra-glycine with first-principle accuracy assisted by the use of neural network potentials<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05659G, Paper</div><div>Hieu Cao Dong, Po-Jen Hsu, Jer-Lai Kuo<br/>In the last ten years, combinations of state-of-the-art gas-phase spectroscopies and quantum chemistry calculations have suggested several intuitive trends in the structure of small polypeptides that may not hold. For...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZHieu Cao DongPo-Jen HsuJer-Lai Kuohttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06254Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06254FPhotophysics of a nucleic acid-protein crosslinking model strongly depends on solvation dynamics: an experimental and theoretical study<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06254F, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Gabriele Iuzzolino, Fulvio Perrella, Mohammadhassan Valadan, Alessio Petrone, Carlo Altucci, Nadia Rega<br/>We present a combined experimental and theoretical study of the photophysics of 5-benzyluracil (5BU) in methanol, which is a model system for nucleic acids/proteins interactions. A molecular dynamics of 5BU...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZGabriele IuzzolinoFulvio PerrellaMohammadhassan ValadanAlessio PetroneCarlo AltucciNadia Regahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00198Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00198BCrystallization kinetics of (S)-4′-(1-methylheptyloxycarbonyl)biphenyl-4-yl 4-[4-(2,2,3,3,4,4,4-heptafluorobutoxy)but-1-oxy]-2-fluorobenzoate<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00198B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00198B, Paper</div><div>Aleksandra Deptuch, Sebastian Lalik, Małgorzata Jasiurkowska-Delaporte, Magdalena Urbańska, Monika Marzec<br/>Melt crystallization of liquid crystalline 3F4HPhF6 is investigated by polarizing optical microscopy and differential scanning calorimetry. X-ray diffraction and broadband dielectric spectroscopy are used to characterize the crystal phases.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZAleksandra DeptuchSebastian LalikMałgorzata Jasiurkowska-DelaporteMagdalena UrbańskaMonika Marzechttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06255Dhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06255DThe strength of the OH-bend/OH-stretch Fermi resonance in small water clusters<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06255D" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06255D, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Nils O. B. Lüttschwager<br/>A novel Raman jet-spectrometer is used to study the Fermi resonance between the OH bending overtone and OH stretching fundamental in small cyclic water clusters.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZNils O. B. Lüttschwagerhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00012Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00012AIR spectroscopic characterization of [M,C,2H]+ (M = Ru and Rh) products formed by reacting 4d transition metal cations with oxirane: Spectroscopic evidence for multireference character in RhCH2+<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00012A, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Frank J Wensink, Corry E Smink, Brandon C. Stevenson, Ryan Patrick Steele, Joost Bakker, Peter Armentrout<br/>A combination of infrared multiple-photon dissociation (IRMPD) action spectroscopy and quantum chemical calculations was employed to investigate the [M,C,2H]+ (M = Ru and Rh) species. These ions were formed by...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZFrank J WensinkCorry E SminkBrandon C. StevensonRyan Patrick SteeleJoost BakkerPeter Armentrouthttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05589Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05589BContact Evaluation of Penta-PdPSe/Graphene VdW Heterojunction: Tuning the Schottky Barrier and Optical Properties<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05589B, Paper</div><div>Arzoo Hassan, Yaguang Guo, Umer Younas, Andleeb Mehmood, Xiaoqing Tian, Qian Wang<br/>In this work, we design a van der Waals heterojunction composed of semiconducting penta-PdPSe and semi-metallic graphene (G) monolayers based on state-of-the-art theoretical calculations. Our results show that both monolayers...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00ZArzoo HassanYaguang GuoUmer YounasAndleeb MehmoodXiaoqing TianQian Wanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06314Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06314CCoexistence of Giant Goos-Hänchen Shift and High Reflectance in Dirac Semimetal Based Multilayered Structure<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06314C, Paper</div><div>de kang Yin, wentao liu, mengru zhang, Hai-Xia Da<br/>Bulk Dirac semimetals (BDSs) possess the Fermi energy dependent optical parameters, providing the unprecedented opportunities for the study of the controllable Goos-Hänchen (GH) shift. However, the enhancement of GH shifts...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-15T00:00:00Zde kang Yinwentao liumengru zhangHai-Xia Dahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04306Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04306AInvestigation of the lattice thermal transport properties of Janus XClO (X = Cr, Ir) monolayers by first-principles calculations<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP04306A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP04306A, Paper</div><div>Peng Gao, Xihao Chen, Zonghang Liu, Jiwen Li, Ning Wang<br/>Heat transport mechanism within Janus XClO (X = Cr, Ir) was elucidated <em>via</em> first-principles calculations. A correlation between its heat transport efficiency and the concentration of doped magnetic atoms was revealed.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-01T00:00:00ZPeng GaoXihao ChenZonghang LiuJiwen LiNing Wanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04334Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04334GRashba and Dresselhaus Effects in Doped Methylammonium Lead Halide Perovskite MAPbI3<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP04334G, Paper</div><div>Megha Arya, Preeti Bhumla, Sajjan Sheoran, Saswata Bhattacharya<br/>Inorganic-organic lead halide perovskites, particularly methylammonium lead halide (MAPbI<small><sub>3</sub></small>) perovskite, have been regarded as promising materials for optoelectronics and spintronics. However, the practical applications of these perovskites are limited by...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-14T00:00:00ZMegha AryaPreeti BhumlaSajjan SheoranSaswata Bhattacharyahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00118Dhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00118DReal-time dynamics of vibronic wavepackets within Rydberg and ion-pair states of molecular iodine<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00118D, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Jean-Michel Mestdagh, Lou Barreau, Lionel Poisson<br/>Real-time dynamics of vibrationally and electronically excited I2 molecules has been investigated experimentally using the pump-probe technique. A 2-photon excitation was performed either at 269~nm or 266~nm. An electronic and...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-14T00:00:00ZJean-Michel MestdaghLou BarreauLionel Poissonhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06331Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06331CFirst-principles studies on the electronic and contact properties of Monolayer Ga2STe−Metal Contacts<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06331C, Paper</div><div>wanyunfei Zhang, Caijuan Xia, Xumei Zhao, Guoqing Zhang, Lian Bi Li, Yao-Heng Su, Qinglong Fang<br/>Monolayer (ML) Janus III-VI compounds have attracted the use of multiple competitive platforms for future-generation functional electronics, including non-volatile memories, field effect transistors, and sensors. In this work, the electronic...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-14T00:00:00Zwanyunfei ZhangCaijuan XiaXumei ZhaoGuoqing ZhangLian Bi LiYao-Heng SuQinglong Fanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05578Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05578GStrain-induced topological phase transition in ferromagnetic Janus monolayer MnSbBiS2Te2<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05578G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05578G, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Romakanta Bhattarai, Peter Minch, Yunfan Liang, Shengbai Zhang, Trevor David Rhone<br/>Strain-induced topological phase transition in the ferromagnetic Janus monolayer MnSbBiS<small><sub>2</sub></small>Te<small><sub>2</sub></small> is displayed.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-14T00:00:00ZRomakanta BhattaraiPeter MinchYunfan LiangShengbai ZhangTrevor David Rhonehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00303Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00303AImpact of Molecular Orientations on the Energy Levels of A-D-A Acceptors: Implication for the Charge Separation Driving Force of Organic Solar Cells<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00303A, Paper</div><div>Miaofei Huang, Guangchao Han, Yuanping Yi<br/>The energetic landscape of charge carriers, namely the ionization potential (IP) and electron affinity (EA), can play a crucial role in the charge separation and migration processes for organic solar...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-14T00:00:00ZMiaofei HuangGuangchao HanYuanping Yihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05808Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05808EApplication of the symmetric Poisson–Boltzmann theory to a model colloidal mixture<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05808E" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05808E, Paper</div><div>Miguel Molero, Christopher W. Outhwaite, Lutful Bari Bhuiyan<br/>A symmetric Poisson–Boltzmann theory is used to analyse the structure of a primitive model colloidal system which contains either 4 or 6 components.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-14T00:00:00ZMiguel MoleroChristopher W. OuthwaiteLutful Bari Bhuiyanhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04914Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04914KStereoelectronic interactions are too weak to explain the molecular conformation in solid state of cis-2-tert-butyl-5-(tert-butylsulfonyl)-1,3-dioxane<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP04914K" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP04914K, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Fátima M. Soto-Suárez, Tania Rojo-Portillo, Eduardo H. Huerta, Alejandro Aguilera-Cruz, Alberto Tapia-Bárcenas, David Atahualpa Contreras-Cruz, Rubén A. Toscano, Beatriz Quiróz-García, Aaron Rojas-Aguilar, Fernando Cortés-Guzmán, John Bacsa, Karla Ramírez-Gualito, José Enrique Barquera-Lozada, Gabriel Cuevas<br/>In the solid state, <em>cis</em>-<strong>1</strong> exhibits a high degree of eclipsing in the H–C5–S–C segment. The rigorous study of the experimental electro density allowed to establish that CH⋯OS intermolecular interaction is the main contribution to the observed eclipsing.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-14T00:00:00ZFátima M. Soto-SuárezTania Rojo-PortilloEduardo H. HuertaAlejandro Aguilera-CruzAlberto Tapia-BárcenasDavid Atahualpa Contreras-CruzRubén A. ToscanoBeatriz Quiróz-GarcíaAaron Rojas-AguilarFernando Cortés-GuzmánJohn BacsaKarla Ramírez-GualitoJosé Enrique Barquera-LozadaGabriel Cuevashttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05012Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05012BA multi-edge study: investigating Co oxidation states of pristine LiNixMnyCo1-x-yO2 cathode materials by high energy-resolution X-ray spectrometry<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05012B, Paper</div><div>Karina Bzheumikhova, Claudia Zech, Kai Schüler, John Vinson, Yves Kayser, Burkhard Beckhoff<br/>The investigation of Co oxidation states in pristine LiNi<small><sub>x</sub></small>Mn<small><sub>y</sub></small>Co<small><sub>1-x-y</sub></small>O<small><sub>2</sub></small> (NMC) cathodes (NMC111, NMC622, NMC811) has been a subject of ongoing debate, with conflicting findings in the literature. In this study,...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-14T00:00:00ZKarina BzheumikhovaClaudia ZechKai SchülerJohn VinsonYves KayserBurkhard Beckhoffhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00441Hhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00441HNew-generation electron-propagator methods for vertical electron detachment energies of molecular anions: benchmarks and applications to model green-fluorescent-protein chromophores<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00441H" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00441H, Paper</div><div>Ernest Opoku, Filip Pawłowski, J. V. Ortiz<br/><em>Ab initio</em> electron-propagator calculations continue to be useful companions to experimental investigations of electronic structure in molecular anions.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-08T00:00:00ZErnest OpokuFilip PawłowskiJ. V. Ortizhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00048Jhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00048JDetailed quasiclassical dynamics of the F− + SiH3Cl multi-channel reaction<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00048J" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00048J, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Attila Á. Dékány, Gábor Czakó<br/>Quasiclassical trajectory computations on a high-level <em>ab initio</em> full-dimensional potential energy surface reveal the angular and product-energy distributions for the different channels of the F<small><sup>−</sup></small> + SiH<small><sub>3</sub></small>Cl reaction.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-06T00:00:00ZAttila Á. DékányGábor Czakóhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00341Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00341AModulation of luminescence properties of circularly polarized thermally activated delayed fluorescence molecules with axial chirality by donor engineering<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00341A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00341A, Paper</div><div>Shulei Liu, Songsong Liu, Yang Gao, Lili Lin, Chuan-Kui Wang, Jianzhong Fan, Yuzhi Song<br/>The photophysical properties of circularly polarized thermally activated delayed fluorescence (CP-TADF) molecules are regulated by adjusting the type of donors.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-06T00:00:00ZShulei LiuSongsong LiuYang GaoLili LinChuan-Kui WangJianzhong FanYuzhi Songhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00274Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00274ADirect visualization and 3D reconstruction of conductive filaments in aSiO2 material-based memristive device<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00274A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00274A, Paper</div><div>Stanislav Slang, Bin Gu, Bo Zhang, Petr Janicek, Jhonatan Rodriguez-Pereira, Tomas Wagner<br/>Observation of conductive filaments has greatly aided the development of theoretical models of memristive devices.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-05T00:00:00ZStanislav SlangBin GuBo ZhangPetr JanicekJhonatan Rodriguez-PereiraTomas Wagnerhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00673Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00673AVibrational anisotropy decay resolves rare earth binding induced conformational change in DTPA<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00673A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00673A, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Ranadeb Ball, Jessica A. Jackson, Tomekia Simeon, George C. Schatz, Jenifer C. Shafer, Jessica M. Anna<br/>Elucidating the relationship between metal–ligand interactions and the associated conformational change of the ligand is critical for understanding the separation of lanthanides <em>via</em> ion binding.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-05T00:00:00ZRanadeb BallJessica A. JacksonTomekia SimeonGeorge C. SchatzJenifer C. ShaferJessica M. Annahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05869Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05869GDeep learning-enhanced characterization of bubble dynamics in proton exchange membrane water electrolyzers<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05869G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05869G, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>André Colliard-Granero, Keusra A. Gompou, Christian Rodenbücher, Kourosh Malek, Michael H. Eikerling, Mohammad J. Eslamibidgoli<br/>This study presents a deep learning framework for automated, high-throughput analysis of bubble dynamics in proton exchange membrane water electrolyzers, enhancing imaging analysis efficiency.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-05T00:00:00ZAndré Colliard-GraneroKeusra A. GompouChristian RodenbücherKourosh MalekMichael H. EikerlingMohammad J. Eslamibidgolihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05466Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05466GStructure-dependent spin-polarized electron transport in twin-crystal Cu1−xEuxO semiconductors<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05466G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05466G, Paper</div><div>Kewei Zhang, Xi Chen, Mingyan Chuai, Mingzhe Zhang<br/>The twin crystal structure and Eu atom doping are regarded as the main factors affecting the p-type to n-type transition, the magnetic properties, and the anomalous Hall effect of the twin Cu<small><sub>1−<em>x</em></sub></small>Eu<small><sub><em>x</em></sub></small>O structure.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-05T00:00:00ZKewei ZhangXi ChenMingyan ChuaiMingzhe Zhanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05662Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05662GA fluorescence based dual sensor for Zn2+ and PO43− and the application of soft computing methods to predict machine learning outcomes<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05662G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05662G, Paper</div><div>Shashanka Shekhar Samanta, Subhadip Giri, Sourav Mandal, Usha Mandal, Hasibul Beg, Ajay Misra<br/>A phenolphthalein-based Schiff base, 3,3-bis-{4-hydroxy-3-[(pyridine-2-ylmethylimino)-methyl]-phenyl}-3<em>H</em>-isobenzofuran-1-one (<strong>PAP</strong>), has been synthesized and used for selective fluorescence ‘turn on’ and ‘turn off’ sensing of Zn<small><sup>2+</sup></small> and PO<small><sub>4</sub></small><small><sup>3−</sup></small>, respectively.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-29T00:00:00ZShashanka Shekhar SamantaSubhadip GiriSourav MandalUsha MandalHasibul BegAjay Misrahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06008Jhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06008JEstimation of the electrochemical active site density of a metal-free carbon-based catalyst using phosphomolybdate (PMo12) as an adsorbate<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06008J" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06008J, Paper</div><div>Rajan Maurya, Rubul Das, Shreya Sharma, Manoj Neergat<br/>A method to estimate the electrochemical active site density of carbon and nitrogen-doped carbon using phosphomolybdate as a probe is proposed. The complete rejection of background current in AC voltammetry offers better estimate of the site density.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-28T00:00:00ZRajan MauryaRubul DasShreya SharmaManoj Neergathttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05268Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05268KVarying the degree of oxidation of graphite: effect of oxidation time and oxidant mass<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05268K" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05268K, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Ioannis Karnis, Fanourios Krasanakis, Labrini Sygellou, Anastassia N. Rissanou, Konstantinos Karatasos, Kiriaki Chrissopoulou<br/>XRD measurements of graphene oxides oxidized with varying oxidant masses demonstrate a systematic increase in their interlayer distance; the snapshot corresponds to one of the experimental systems that was obtained through MD simulations.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-27T00:00:00ZIoannis KarnisFanourios KrasanakisLabrini SygellouAnastassia N. RissanouKonstantinos KaratasosKiriaki Chrissopoulouhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05767Dhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05767DSelf-assembly of an amino acid derivative as anode interface layer for advanced alkaline Al-air batteries<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP05767D, Paper</div><div>Lei Guo, Lei Zhu, Yue Huang, Yan Tan, Alessandra Gilda Ritacca, Xingwen Zheng, Senlin Leng, Baoguo Wang<br/>Alkaline Al-air batteries (AABs) are gaining increasing attention for large-scale energy storage systems due to their attractive intrinsic safety and cost-effectiveness. Nonetheless, future development of AABs is substantially hampered by...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-13T00:00:00ZLei GuoLei ZhuYue HuangYan TanAlessandra Gilda RitaccaXingwen ZhengSenlin LengBaoguo Wanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00005Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00005FArt, Fact and Artifact: Reflections on the Cross-Talk between Theory and Experiment<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00005F, Perspective</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY-NC.png' alt='Creative Commons Licence' border='none'/></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by-nc/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution-NonCommercial 3.0 Unported Licence.</a></div><div>Judith Herzfeld<br/>With the increasing sophistication of each, theory and experiment have become highly specialized endeavors conducted by separate research groups. A result has been a weakening of the coupling between them...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-13T00:00:00ZJudith Herzfeldhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06305Dhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06305DEffect of impurities on radical formation in gibbsite radiolysis<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06305D" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP06305D, Communication</div><div>Hanna Hlushko, Alejandro Ramos-Ballesteros, Ping Chen, Xin Zhang, Kevin M. Rosso, Carolyn I. Pearce, Jay A. LaVerne<br/>The generation and stabilization of gamma radiation-induced hydrogen atoms in gibbsite (Al(OH)<small><sub>3</sub></small>) nanoplates is directly related to the nature of residual ions from synthetic precursors used, whether nitrates or chlorides.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-13T00:00:00ZHanna HlushkoAlejandro Ramos-BallesterosPing ChenXin ZhangKevin M. RossoCarolyn I. PearceJay A. LaVernehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00103Fhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00103FAdsorption and Activation of Small Molecules on Boron Nitride Catalysts<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00103F, Review Article</div><div>Baiyu Miao, Zhihuan Qiu, Ziheng Zhen, Youwei Yang, Zhibo Yang, Tiantian Xiao, Jing Lv, Shouying Huang, Yue Wang, Xinbin Ma<br/>Hexagonal boron nitride possesses unique layered structure, high specific surface area and similar electronic properties as graphene, which makes it not only a superior catalyst support, but also a highly...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-13T00:00:00ZBaiyu MiaoZhihuan QiuZiheng ZhenYouwei YangZhibo YangTiantian XiaoJing LvShouying HuangYue WangXinbin Mahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06149Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06149CThe Mechanism and Kinetics of the Atmospheric Oxidation of CF3(CF2)2CH=CH2 (HFC-1447fz) by hydroxyl radical: Ab Initio investigation<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D3CP06149C, Paper</div><div>Youqing Yu, Pan Li, Qiyao Sun, Jie Wang<br/>The oxidation of 3,3,4,4,5,5,5-heptafluoro-1-pentene (HFC-1447fz) by hydroxyl radical plays a crucial role in atmospheric condition. Employing M06-2X/6-311++G(d,p)// CCSD(T)/cc-pVTZ//M06-2X/6-311++G (d, p) level of theory, the detailed reaction mechanism, kinetics and atmospheric...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-13T00:00:00ZYouqing YuPan LiQiyao SunJie Wanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00149Dhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00149DTheoretical Insights into the Structural, Mechanical, and Electronic Properties of bcc-C40 Carbon<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00149D, Paper</div><div>Ying Ma, Pan Ying, Kun Luo, Yingju Wu, Baozhong Li, Julong He<br/>Novel materials displaying multiple exceptional properties are the backbone of the advancement of various industries. In the field of carbon materials, the combination of different properties has been extensively developed...<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-13T00:00:00ZYing MaPan YingKun LuoYingju WuBaozhong LiJulong Hehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00641Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00641KWOx/MoOx Hybrid Oxide Based SERS FET and Investigation on Its Tunable SERS Performance<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Accepted Manuscript<br/><b>DOI</b>: 10.1039/D4CP00641K, Paper</div><div>Kaibo Yuan, Qinqin Qian, Miaomiao Wu, Bingxia Wang, Shuwen Zeng, Dong Chen, Muhammad Danang Birowosuto, Diing Shenp Ang, Chenjie Gu<br/>Active control the surface-enhanced Raman scattering (SERS) enhancement shows great potential for realizing smart detection of different molecules. However, conventional methods usually involve time-consuming structural design or sophisticated fabrication process....<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-13T00:00:00ZKaibo YuanQinqin QianMiaomiao WuBingxia WangShuwen ZengDong ChenMuhammad Danang BirowosutoDiing Shenp AngChenjie Guhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05645Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05645GReactivity of Ts and At oxides and oxyhydrides with a gold surface from periodic DFT calculations<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05645G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05645G, Paper</div><div>Anton Ryzhkov, Valeria Pershina, Miroslav Iliaš, Vladimir Shabaev<br/>DFT periodic calculations of adsorption properties of oxides and oxyhydrides of Ts and At on the surface of gold. Strong interaction of the considered species with the surface. Increasing reactivity of the Ts compounds with respect to the At ones.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-07T00:00:00ZAnton RyzhkovValeria PershinaMiroslav IliašVladimir Shabaevhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00064Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00064ASimilarity scores of vibrational spectra reveal the atomistic structure of pentapeptides in multiple basins<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00064A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00064A, Paper</div><div>Hiroki Otaki, Shun-ichi Ishiuchi, Masaaki Fujii, Yuji Sugita, Kiyoshi Yagi<br/>A similarity score of vibrational spectra is proposed to reveal the structures of two conformers of a pentapeptide, acetyl-SIVSF-<em>N</em>-methylamide. One of the conformers is found to be 25 kJ mol<small><sup>−1</sup></small> less stable than the most stable one.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-07T00:00:00ZHiroki OtakiShun-ichi IshiuchiMasaaki FujiiYuji SugitaKiyoshi Yagihttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05673Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05673BOn machine learning analysis of atomic force microscopy images for image classification, sample surface recognition<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05673B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D3CP05673B, Perspective</div><div>I. Sokolov<br/>Steps of combining atomic force microscopy (AFM or SPM) with machine learning.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-05T00:00:00ZI. Sokolovhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00322Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00322EPlasmon-induced hot carrier distribution in a composite nanosystem: role of the adsorption site<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00322E" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,9037-9050<br/><b>DOI</b>: 10.1039/D4CP00322E, Paper</div><div>Mufasila Mumthaz Muhammed, Junais Habeeb Mokkath<br/>The generation of hot carriers (HCs) through the excitation of localized surface plasmon resonance (LSPR) in metal nanostructures is a fascinating phenomenon that fuels both fundamental and applied research.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-05T00:00:00ZMufasila Mumthaz MuhammedJunais Habeeb Mokkathhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00316Khttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00316KImplications for new particle formation in air of the use of monoethanolamine in carbon capture and storage<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00316K" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,9005-9020<br/><b>DOI</b>: 10.1039/D4CP00316K, Paper</div><div>Véronique Perraud, Kanuri Roundtree, Patricia M. Morris, James N. Smith, Barbara J. Finlayson-Pitts<br/>This study reports on the high yield of new particle formation (NPF) from the reaction of an alkanolamine commonly used in carbon capture and storage technology, monoethanolamine, with strong atmospherically relevant acid, methanesulfonic acid.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-05T00:00:00ZVéronique PerraudKanuri RoundtreePatricia M. MorrisJames N. SmithBarbara J. Finlayson-Pittshttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00268Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00268GA tri-functional, independently tunable terahertz absorber based on a vanadium dioxide–graphene hybrid structure<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00268G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8993-9004<br/><b>DOI</b>: 10.1039/D4CP00268G, Paper</div><div>Guozheng Wu, Chao Li, Dong Wang, Song Gao, Wenya Chen, Shijing Guo, Jiaran Xiong<br/>The device offers robustness and polarization insensitivity, providing versatility and adaptability in various applications and environmental conditions with its two absorption modes and total reflector, which can be flexibly switched.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-05T00:00:00ZGuozheng WuChao LiDong WangSong GaoWenya ChenShijing GuoJiaran Xionghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP90033Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP90033BCorrection: Ionic migration induced loss analysis of perovskite solar cells: a poling study<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,9074-9074<br/><b>DOI</b>: 10.1039/D4CP90033B, Correction</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Xue Zheng, Wenjie Ming, Pingping Liu, Jie Zhang, Hongfei Zhou, Ming Chen, Weimin Li, Boyuan Huang, Huan Wang, Chunlei Yang<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-05T00:00:00ZXue ZhengWenjie MingPingping LiuJie ZhangHongfei ZhouMing ChenWeimin LiBoyuan HuangHuan WangChunlei Yanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05549Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05549CTa+ and Nb+ + CO2: intersystem crossing in ion–molecule reactions<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05549C" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8670-8680<br/><b>DOI</b>: 10.1039/D3CP05549C, Paper</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Maximilian E. Huber, Tucker W. R. Lewis, Marcel Meta, Shaun G. Ard, Yang Liu, Brendan C. Sweeny, Hua Guo, Milan Ončák, Nicholas S. Shuman, Jennifer Meyer<br/>The role of intersystem crossing (ISC) in the dynamics and kinetics of gas-phase ion–molecule reactions is investigated by a mix of experimental and theoretical methods. We found that ISC can act as a bottleneck even for highly efficient reactions.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-04T00:00:00ZMaximilian E. HuberTucker W. R. LewisMarcel MetaShaun G. ArdYang LiuBrendan C. SweenyHua GuoMilan OnčákNicholas S. ShumanJennifer Meyerhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00017Jhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00017JDetermining the mechanical and decomposition properties of high energetic materials (α-RDX, β-HMX, and ε-CL-20) using a neural network potential<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00017J" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00017J, Paper</div><div>Mingjie Wen, Xiaoya Chang, Yabei Xu, Dongping Chen, Qingzhao Chu<br/>NNP models covering three typical C/H/N/O element HEMs were developed to capture the mechanical and decomposition properties of RDX, HMX and CL-20. The decomposition trajectory is mainly divided into two stages: pyrolysis and oxidation.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-04T00:00:00ZMingjie WenXiaoya ChangYabei XuDongping ChenQingzhao Chuhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP90047Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP90047BCorrection: Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance<div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,9073-9073<br/><b>DOI</b>: 10.1039/D4CP90047B, Correction</div><div><img alt='Open Access' src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/open_access_blue.png' /> Open Access</div><div><a rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window'> <img src='http://sod-a.rsc-cdn.org/pubs.rsc-uat.org/content/NewImages/CCBY.png' alt='Creative Commons Licence' border='none' /></a>&nbsp This article is licensed under a <a text-decoration=none rel='license' href='http://creativecommons.org/licenses/by/3.0/' target='_blank' title='This link will open in a new browser window' >Creative Commons Attribution 3.0 Unported Licence.</a></div><div>Pascal Vermeeren, Marco Dalla Tiezza, Mark E. Wolf, Mitchell E. Lahm, Wesley D. Allen, Henry F. Schaefer, Trevor A. Hamlin, F. Matthias Bickelhaupt<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-04T00:00:00ZPascal VermeerenMarco Dalla TiezzaMark E. WolfMitchell E. LahmWesley D. AllenHenry F. SchaeferTrevor A. HamlinF. Matthias Bickelhaupthttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04832Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04832BLarge valley splitting induced by spin–orbit coupling effects in monolayer W2NSCl<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP04832B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8945-8951<br/><b>DOI</b>: 10.1039/D3CP04832B, Paper</div><div>Mengxian Lan, Suen Wang, Xiaoyu Liu, Sai Ma, Shiqian Qiao, Ying Li, Hong Wu, Feng Li, Yong Pu<br/>Valley splitting induced by spin-orbit coupling.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-04T00:00:00ZMengxian LanSuen WangXiaoyu LiuSai MaShiqian QiaoYing LiHong WuFeng LiYong Puhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06201Ehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06201EElucidation of the catalytic mechanism of a single-metal dependent homing endonuclease using QM and QM/MM approaches: the case study of I-PpoI<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06201E" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8919-8931<br/><b>DOI</b>: 10.1039/D3CP06201E, Paper</div><div>Rajwinder Kaur, Angela Frederickson, Stacey D. Wetmore<br/>QM cluster and QM/MM calculations reveal that the single-metal dependent endonuclease I-<em>Ppo</em>I prefers direct metal coordination to the leaving group of the substrate to break the extremely stable phosphodiester bond in DNA.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-01T00:00:00ZRajwinder KaurAngela FredericksonStacey D. Wetmorehttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06189Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP06189BTransition from Schottky to Ohmic contacts in 2D Ge/GaAs heterostructures with high tunneling probability<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP06189B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8842-8849<br/><b>DOI</b>: 10.1039/D3CP06189B, Paper</div><div>Yang Shen, Jianfeng Zhu, Qihao Zhang, Hua Zhu, Qianglong Fang, Xiaodong Yang, Baolin Wang<br/>Biaxial strain and electric field engineering induced the Schottky to Ohmic contact transition of a germanene/GaAs metal–semiconductor junction with electron injection efficiency exceeding 27%.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-03-01T00:00:00ZYang ShenJianfeng ZhuQihao ZhangHua ZhuQianglong FangXiaodong YangBaolin Wanghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04284Ghttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP04284GTailoring iridium–palladium nanoparticles with Ir-rich skin: a highly durable anode electrocatalyst for acidic water electrolysis via a facile microwave-assisted chemical reduction method<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP04284G" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,9060-9072<br/><b>DOI</b>: 10.1039/D3CP04284G, Paper</div><div>Swapnil Sanjay Karade, Raghunandan Sharma, Per Morgen, Darko Makovec, Sašo Gyergyek, Shuang Ma Andersen<br/>Iridium palladium alloy nanoparticle catalyst with iridium rich skin demonstrates high and robust oxygen evolution reaction (OER) activity plus ability for hydrogen adsorption and desorption under acidic environment.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-29T00:00:00ZSwapnil Sanjay KaradeRaghunandan SharmaPer MorgenDarko MakovecSašo GyergyekShuang Ma Andersenhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00094Chttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00094CEffect of interlayer slipping on the geometric, thermal and adsorption properties of 2D covalent organic frameworks: a comprehensive review based on computational modelling studies<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00094C" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8577-8603<br/><b>DOI</b>: 10.1039/D4CP00094C, Review Article</div><div>Hasnain Sajid<br/>In 2D-COFs, fluctuation in interlayer stacking affects the energetic stability, mechanical strength, thermal conductivity and adsorption capacity of the COFs.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-29T00:00:00ZHasnain Sajidhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00016Ahttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D4CP00016AUV photolysis of thiourea and its N-methylated derivative in cryogenic matrices<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D4CP00016A" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, Advance Article<br/><b>DOI</b>: 10.1039/D4CP00016A, Paper</div><div>Sándor Góbi, Barbara Keresztes, Anita Schneiker, György Tarczay<br/>Thiourea and <em>N</em>-methyl thiourea isolated in cryogenic Ar and <em>para</em>-H<small><sub>2</sub></small> matrices have been processed using 240 and 216 nm laser UV photons. Their photodecomposition has been monitored by IR spectroscopy and their degradation pathways have been assessed.<br/>To cite this article before page numbers are assigned, use the DOI form of citation above.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-29T00:00:00ZSándor GóbiBarbara KeresztesAnita SchneikerGyörgy Tarczayhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05270Bhttp://pubs.rsc.org/en/Content/ArticleLanding/2024/CP/D3CP05270BAssessing the role of residue Phe108 of cytochrome P450 3A4 in allosteric effects of midazolam metabolism<div><p><img align="center" src="/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=D3CP05270B" /></p></div><div><i><b>Phys. Chem. Chem. Phys.</b></i>, 2024, <b>26</b>,8807-8814<br/><b>DOI</b>: 10.1039/D3CP05270B, Paper</div><div>Tingting Fu, Hongxing Zhang, Qingchuan Zheng<br/>Residue F108 of CYP3A4 is closely related to substrate binding stability, the transition of substrate binding mode, and the characteristics of CYP3A4 channels, playing an important role in MDZ metabolism and allosteric effects.<br/>The content of this RSS Feed (c) The Royal Society of Chemistry</div>2024-02-29T00:00:00ZTingting FuHongxing ZhangQingchuan Zheng