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Proton transport mechanism of imidazole, triazole and phosphoric acid...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP05735C, PaperSwagata Pahari, Sudip RoyWe have performed first principles molecular dynamics simulations to elucidate the mechanism and...
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The pH dependence of OH radical formation in photo-electrochemical water...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP04531B, PaperYukihiro Nakabayashi, Yoshio NosakaThe experimental results in photoelectrolysis with rutile (100) and (110) TiO2 single...
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Radiation-induced transformations of matrix-isolated formic acid: evidence...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP05446J, PaperSergey V. Ryazantsev, Vladimir I. FeldmanHOCO radicals are produced under X-ray irradiation of isolated formic acid at low...
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Demystifying fluorine chemical shifts: electronic structure calculations...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP05502D, PaperChandana Kasireddy, James G. Bann, Katie R. Mitchell-KochUnderstanding localization/delocalization of fluorine electron...
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Designing the topology of ion nano-channels in the mesophases of amphiphilic...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP05618G, CommunicationK. N. Grafskaia, J. J. Hernandz Rueda, X. Zhu, V. M. Nekipelov, D. V. Anokhin, M. Moeller, D. A. IvanovThe...
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Multi-center covalency: revisiting the nature of anion-[small pi] interactions
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP05777A, PaperCina Foroutan-Nejad, Zahra Badri, Radek MarekPlot of the delocalization index, [small delta](X-,[capital Omega]), scaled by...
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Application-oriented computational studies on a series of D-[small pi]-A...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP05625J, PaperChencheng Fan, Bao Zhang, Yuanchao Li, Yuxia Liang, Xiaodong Xue, Yaqing FengA reliable method involving the employment of...
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Fluorescence emissions of imide compounds and end-capped polyimides enhanced...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP05055C, PaperKenta Kanosue, Shinji AndoEnhancement of the fluorescence quantum yield of imide compounds by introducing intramolecular...
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Measurement and modelling of reactive transport in geological barriers for...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP05243B, Paper Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Qingrong Xiong,...
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Electrochemistry and speciation of Au+ in a deep eutectic solvent: growth and...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP05748E, PaperAndrew D. Ballantyne, Gregory C. H. Forrest, Gero Frisch, Jennifer M. Hartley, Karl S. RyderIn this study we compare the...
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Direct determination of ionic transference numbers in ionic liquids by...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP05753A, PaperMartin Gouverneur, Jakob Kopp, Leo van Wullen, Monika SchonhoffTransference numbers of ions in a series of ionic liquids are...
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Hydrogen bond mediated stabilization of the salt bridge structure for the...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP06120B, PaperS. Heiles, Richard J. Cooper, Giel Berden, Jos Oomens, Evan R. WilliamsThe formation of a salt bridge in deprotonated glycine...
View ArticleEnhanced Field-Emission of Silver Nanoparticle-Graphene Oxide Decorated ZnO...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05036G, PaperGuojing Wang, Zhengcao Li, Mingyang Li, Jiecui Liao, Chienhua Chen, Shasha Lv, Shi ChuanqingThis work presents a new...
View ArticleStability of Two-Dimensional PN Monolayer Sheets and Their Electronic Properties
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05901A, PaperShuangYing Ma, Chaoyu He, Lizhong Sun, Haiping Lin, Youyong Li, Kaiwang ZhangThree two-dimensional phosphorus nitride...
View ArticleCoupled phase field, heat conduction, and elastodynamic simulations of...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP04443J, PaperYong Seok Hwang, Valery Dr. LevitasAn advanced continuum model for nanoscale melting and kinetic superheating of an...
View ArticleA new look at oxide formation at the copper/electrolyte interface by in situ...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05172J, PaperCigdem Toparli, Adnan Sarfraz, Andreas ErbeThe widely used engineering material copper is a prototype of an...
View ArticleNuclear Dynamics in the Metastable Phase of the Solid Acid Caesium Hydrogen...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05636E, PaperMaciej Krzystyniak, Kacper Druzbicki, Felix Fernandez-AlonsoHigh-resolution spectroscopic measurements using thermal and...
View ArticleMethane Partial Oxidation using FeOx@La0.8Sr0.2FeO3-[small delta] Core-Shell...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP05583K, PaperArya Shafiefarhood, Joseph Clay Hamill, Luke Michael Neal, Fanxing LiThe chemical looping reforming (CLR) process, which...
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Correction: Towards the rationalization of catalytic activity values by means...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP90197A, Correction Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Jorge Ignacio...
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Structural phases of adsorption for flexible polymers on nanocylinder surfaces
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03952E, PaperJonathan Gross, Thomas Vogel, Michael BachmannUsing Monte Carlo simulations, the thermodynamic behavior of a flexible elastic...
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