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Inhibition effect of a non-permeating component on gas permeability of...

Phys. Chem. Chem. Phys., 2015, 17,23619-23626DOI: 10.1039/C5CP03195H, PaperBoyao Wen, Chengzhen Sun, Bofeng BaiThe inhibition effect of a non-permeating component on gas permeability of nanoporous...

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The nature of photogenerated charge separation among different crystal facets...

Phys. Chem. Chem. Phys., 2015, 17,23503-23510DOI: 10.1039/C5CP04299B, PaperTaifeng Liu, Xin Zhou, Michel Dupuis, Can LiElectron and hole transfer paths along the crystal axis [hkl] and the...

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Six-dimensional quantum dynamics of dissociative chemisorption of H2 on...

Phys. Chem. Chem. Phys., 2015, 17,23346-23355DOI: 10.1039/C5CP03324A, PaperBin Jiang, Xixi Hu, Sen Lin, Daiqian Xie, Hua GuoSix-dimensional quantum dynamics of hydrogen dissociative chemisorption on...

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A generalized method for the inversion of cohesive energy curves from...

Phys. Chem. Chem. Phys., 2015, 17,23423-23437DOI: 10.1039/C5CP03792A, PaperKevin M. Schmidt, Victor R. VasquezCohesive energy inversions are generalized to handle a broad range of lattice geometries,...

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A high-spin organic diradical as a spin filter

Phys. Chem. Chem. Phys., 2015, 17,23378-23383DOI: 10.1039/C5CP03193A, PaperSuranjan Shil, Debojit Bhattacharya, Anirban Misra, Douglas J. KleinA highly ferromagnetic m-phenylene connected bis(aminoxyl)...

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Born-Oppenheimer and Renner-Teller coupled-channel quantum reaction dynamics...

Phys. Chem. Chem. Phys., 2015, 17,23392-23402DOI: 10.1039/C5CP03451E, PaperPablo Gamallo, Paolo Defazio, Miguel Gonzalez, Miguel Paniagua, Carlo PetrongoloWe present Born-Oppenheimer (BO) and...

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Nanometric distance measurements between Mn(II)DOTA centers

Phys. Chem. Chem. Phys., 2015, 17,23368-23377DOI: 10.1039/C5CP03487F, PaperH. Y. Vincent Ching, Paul Demay-Drouhard, Helene C. Bertrand, Clotilde Policar, Leandro C. Tabares, Sun UnThe distance between...

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Adsorption properties of trifluoroacetic acid on anatase (101) and (001)...

Phys. Chem. Chem. Phys., 2015, 17,23627-23633DOI: 10.1039/C5CP03780H, PaperOriol Lamiel-Garcia, Daniel Fernandez-Hevia, Amador C. Caballero, Francesc IllasTrifluoroacetic acid adsorbs preferentially on...

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Synthesis of BiOI@(BiO)2CO3 facet coupling heterostructures toward efficient...

Phys. Chem. Chem. Phys., 2015, 17,23489-23495DOI: 10.1039/C5CP04374C, PaperChenghua Ding, Fengpu Cao, Liqun Ye, Kecheng Liu, Haiquan Xie, Xiaoli Jin, Yurong SuBiOI@(BiO)2CO3 facet coupling...

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Molecular dynamics modeling of carbon dioxide, water and natural organic...

Phys. Chem. Chem. Phys., 2015, 17,23356-23367DOI: 10.1039/C5CP03552J, PaperA. Ozgur Yazaydin, Geoffrey M. Bowers, R. James KirkpatrickMolecular dynamics modeling of systems containing a Na-exchanged...

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The heavy atom effect on Zn(II) phthalocyanine derivatives: a theoretical...

Phys. Chem. Chem. Phys., 2015, 17,23595-23601DOI: 10.1039/C5CP03833B, PaperMarta E. Alberto, Bruna C. De Simone, Gloria Mazzone, Emilia Sicilia, Nino RussoAbsorption electronic spectra, singlet-triplet...

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The atmospheric oxidation mechanism of 2-methylnaphthalene

Phys. Chem. Chem. Phys., 2015, 17,23413-23422DOI: 10.1039/C5CP02731D, PaperRunrun Wu, Yun Li, Shanshan Pan, Sainan Wang, Liming WangThe fate of [small alpha]- and [small beta]-adducts between OH and...

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Interfacial structure and wetting properties of water droplets on graphene...

Phys. Chem. Chem. Phys., 2015, 17,23460-23467DOI: 10.1039/C5CP04205D, PaperHongru Ren, Leining Zhang, Xiongying Li, Yifan Li, Weikang Wu, Hui LiThe equilibrium water droplets present a hemispherical, a...

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Structural, electronic and optical properties of a hybrid triazine-based...

Phys. Chem. Chem. Phys., 2015, 17,23613-23618DOI: 10.1039/C5CP03173G, PaperJie Cui, Shuhua Liang, Xianhui Wang, Jian-Min ZhangThe interfacial effect on the structural, electronic and optical properties...

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The first hyperpolarizability of nitrobenzene in benzene solutions:...

Phys. Chem. Chem. Phys., 2015, 17,23634-23642DOI: 10.1039/C5CP03455H, PaperMarcelo Hidalgo Cardenuto, Benoit ChampagneMolecular polarization due to solvation amplifies the impact of electron...

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U@C28: the electronic structure induced by the 32-electron principle

Phys. Chem. Chem. Phys., 2015, 17,23308-23311DOI: 10.1039/C5CP04127A, CommunicationXing Dai, Yang Gao, Wanrun Jiang, Yanyu Lei, Zhigang WangThe 32-electron rule can be applied to the neutral U@C28...

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The effect of structural dimensionality on the electrocatalytic properties of...

Phys. Chem. Chem. Phys., 2015, 17,23448-23459DOI: 10.1039/C5CP03900B, PaperSuresh Kukunuri, M. Reshma Krishnan, S. SampathSynthesis of different morphologies of nickel selenide structures and their...

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Electrochemical electron paramagnetic resonance utilizing loop gap resonators...

Phys. Chem. Chem. Phys., 2015, 17,23438-23447DOI: 10.1039/C5CP04259C, PaperMika A. Tamski, Julie V. Macpherson, Patrick R. Unwin, Mark E. NewtonA miniaturised electrochemical cell design for Electron...

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Ultrafast non-radiative decay of gas-phase nucleosides

Phys. Chem. Chem. Phys., 2015, 17,23643-23650DOI: 10.1039/C5CP03806E, Paper Open Access&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Simone De Camillis,...

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Chirality control of nonplanar lead phthalocyanine (PbPc) and its potential...

Phys. Chem. Chem. Phys., 2015, 17,23651-23656DOI: 10.1039/C5CP03355A, PaperYingxiang Cai, Shengliang Xu, Xuelei Qiao, Lidong Wang, Yabo Liu, Tianyu Wang, Xuechun XuAzimuthal orientation of nonplanar...

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