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Path-dependent variational effects and multidimensional tunneling in...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP05780A, PaperJunwei Lucas Bao, Pattrawan Sripa, Donald G. TruhlarMulti-path variational transition state theory (MP-VTST) provides a...
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Optimization of Al2O3/TiO2 nanolaminate thin films prepared with different...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06713H, PaperLae Ho Kim, Yong Jin Jeong, Tae Kyu An, Seonuk Park, Jin Hyuk Jang, Sooji Nam, Jaeyoung Jang, Se Hyun Kim, Chan Eon ParkThe...
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Engineering of hydrogenated two-dimensional h-BN/C superlattices as...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06037K, PaperZhun Liu, Xiaoliang Zhong, Hui Yan, Ru-Zhi WangEngineering of hydrogenated two-dimensional h-BN/C superlattices as...
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Nanostructured BN-Mg composites: features of interface bonding and mechanical...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06289F, PaperDmitry G. Kvashnin, Arkady V. Krasheninnikov, Dmitry Shtansky, Pavel B. Sorokin, Dmitri GolbergUsing first-principles...
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Dynamic free energy surfaces for sodium diffusion in type II silicon clathrates
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06066D, PaperJ. G. Slingsby, N. A. Rorrer, L. Krishna, E. S. Toberer, C. A. Koh, C. M. MaupinEarth abundant semiconducting type II Si...
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N-Alkylthienopyrroledione versus benzothiadiazole pulling units in push-pull...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06075C, PaperJamin Ku, Yeongrok Gim, Yves Lansac, Yun Hee JangLow-band-gap push-pull copolymers are promising donor materials for bulk...
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Interfacial electronic structure and charge transfer of hybrid graphene...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP05847C, PaperZuju Ma, Rongjian Sa, Qiaohong Li, Kechen WuThe interfacial electronic structure and electron transfer of graphene quantum...
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First principles study of organic sensitizers for dye sensitized solar cells:...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP04877J, PaperSanthanamoorthi Nachimuthu, Wei-Chieh Chen, Ermias Girma Leggesse, Jyh-Chiang JiangEfficient organic sensitizers with...
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On the atomic structure of cocaine in solution
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06090G, PaperAndrew J. Johnston, Sebastian Busch, Luis Carlos Pardo, Samantha K. Callear, Philip C. Biggin, Sylvia E. McLainA combination...
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Fabrication of hierarchically structured novel redox-mediator-free ZnIn2S4...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06176H, PaperWan-Kuen Jo, Joon Yeob Lee, Thillai Sivakumar NatarajanEfficient direct Z-scheme ZnIn2S4 marigold flower/Bi2WO6 flower...
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How tubular aggregates interact with biomembranes: wrapping, fusion and pearling
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06511A, PaperTongtao Yue, Yan Xu, Mingbin Sun, Xianren Zhang, Fang HuangHow soft tubular aggregates interact with biomembranes is crucial...
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Design and characterisation of bodipy sensitizers for dye-sensitized NiO...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP05177K, Paper Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Gareth H. Summers,...
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Tuning excitability by alloying: the Rh(111)/Ni/H2 + O2 system
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06792H, PaperT. Smolinsky, M. Homann, R. ImbihlThe dynamic behavior of the O2 + H2 reaction on a Rh(111) surface alloyed with Ni has been...
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Tuning the threshold voltage from depletion to enhancement mode in a...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06322A, CommunicationJie Jiang, Sarit DharIn this work, a simple method based on low-temperature annealing in air is developed for...
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Observation of oxygen dimers via energy transfer from silicon nanoparticles
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP04192A, Communication Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Gazi N....
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Positional recurrence maps, a powerful tool to de-correlate static and...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06464C, PaperA. Piovano, A. Perrichon, M. Boehm, M. R. Johnson, W. PaulusIn order to investigate the on-site motion of the diffusive...
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The Nature of the Silicaphilic Fluorescence of PDMPO
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05105C, Paper Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Mithun...
View ArticleUnification of Ground-State Aromaticity Criteria -Structure, Electron...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05222J, PaperZahra Badri, Cina Foroutan-NejadIn the present account we investigate a theoretical link between bond length, electron...
View ArticleQuantifying highly efficient incoherent energy transfer in perylene-based...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP06953J, PaperJames Webb, Kai Chen, Shyamal K. K. Prasad, Jonathan Wojciechowski, Alexander Falber, Pall Thordarson, Justin...
View ArticleInterlocking Order Parameter Fluctuations in Structural Transitions Between...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05038C, PaperPaulo Martins, Michael BachmannThis is an Accepted Manuscript, which has been through the RSC Publishing peer review...
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