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A generalized method for the inversion of cohesive energy curves from...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 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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Born-Oppenheimer and Renner-Teller coupled-channel quantum reaction dynamics...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03451E, PaperPablo Gamallo, Paolo Defazio, Miguel Gonzalez, Miguel Paniagua, Carlo PetrongoloWe present Born-Oppenheimer (BO) and...
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Spectroscopic evidence of 'jumping and pecking' of cholinium and H-bond...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03412D, CommunicationAnne Knorr, Koichi Fumino, Anne-Marie Bonsa, Ralf LudwigSpectroscopic evidence for cation-cation interaction in ionic...
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The atmospheric oxidation mechanism of 2-methylnaphthalene
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 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, Advance ArticleDOI: 10.1039/C5CP04205D, PaperHongru Ren, Leining Zhang, Xiongying Li, Yifan Li, Weikang Wu, Hui LiThe equilibrium water droplets present a hemispherical,...
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The effect of structural dimensionality on the electrocatalytic properties of...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 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, Advance ArticleDOI: 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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A computational study of the effect of the metal organic framework...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02926K, PaperTanping Li, Kiara Taylor-Edinbyrd, Revati KumarComputational investigations into the effect of a copper based metal organic...
View ArticleReduction and Transformation of Fluorinated Graphene Induced by Ultraviolet...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03473F, PaperMengmeng Ren, Xu Wang, Changshuai Dong, Baoyin Li, Yang Liu, Teng Chen, Peng Wu, Zheng Cheng, Xiangyang LiuThe effect of...
View ArticleA novel crystalline SiCO compound
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03673A, PaperMiriam Marques, Angel Morales-Garcia, Jose Manuel Menendez, Valentin Garcia Baonza, Jose MunizAb initio evolutionary...
View ArticleHybrid zinc oxide/graphene electrodes for depleted heterojunction colloidal...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03571F, PaperMohammad Mahdi Tavakoli, Hossein Aashuri, A. Simchi, Zhiyong FanRecently, hybrid nanocomposites consisting of...
View ArticleImproved charge transport and injection in the meso-superstructured solar...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03803K, PaperNan Li, Haoyuan Li, Yu Li, Shufeng Wang, Liduo WangIn meso-superstructured solar cells (MSSCs), the state-of-art...
View ArticleSelf-diffusion, Velocity Cross-correlation, Distinct Diffusion and Resistance...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP04277A, PaperKenneth R Harris, Mitsuhiro KanakuboIon self-diffusion coefficients (DSi) have been measured for the ionic liquid...
View ArticleTheoretical Study of the Reactions of Criegee Intermediates with Ozone,...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03862F, PaperLuc Vereecken, Andrew R Rickard, Mike Newland, William BlossThe reaction of Criegee intermediates (CI) with ozone, O3,...
View ArticleThermal luminescence quenching of amine-functionalized silicon quantum dots:...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP04483A, PaperSurajit Chatterjee, Tushar MukherjeeUnderstanding and resolving the mechanisms that affect the photoluminescence (PL) of...
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A DFT+U study of A-site and B-site substitution in BaFeO3-[small delta]
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02694F, PaperZarah Medina Baiyee, Chi Chen, Francesco CiucciA physical insight on the A- and B-site substitution of BaFeO3 with focus on...
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Energy dissipative photoprotective mechanism of carotenoid spheroidene from...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03089G, PaperSundaram Arulmozhiraja, Naoki Nakatani, Akira Nakayama, Jun-ya HasegawaTriplet energy dissipation mechanism of a carotenoid:...
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Fabrication of functionalized polysulfide reservoirs from large graphene...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02531A, PaperChao-Ying Fan, Huan-Huan Li, Lin-Lin Zhang, Hai-Zhu Sun, Xing-Long Wu, Hai-Ming Xie, Jing-Ping ZhangLarge graphene sheets...
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Liquid/liquid interface layering of 1-butanol and [bmim]PF6 ionic liquid: a...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03307A, PaperTakashi Iwahashi, Tatsuya Ishiyama, Yasunari Sakai, Akihiro Morita, Doseok Kim, Yukio OuchiIV-SFG vibrational spectroscopy...
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The nature of photogenerated charge separation among different crystal facets...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 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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