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Tunable dipole induced hydrogen bonds between a hydrogen molecule and alkali...
Phys. Chem. Chem. Phys., 2015, 17,20361-20367DOI: 10.1039/C5CP02598B, PaperHaiyan Zhu, Bolong Huang, Jianfu Li, Zhenyi Jiang, Bo Wang, Zhigang Wang, Rui-Qin ZhangConventional hydrogen bonding (HB)...
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Coupling effect between the structure and surface characteristics of...
Phys. Chem. Chem. Phys., 2015, 17,20368-20375DOI: 10.1039/C5CP02952J, PaperGuanjie Wei, Zhenguo Gao, Zengfu Wei, Xinzhuang Fan, Jianguo Liu, Chuanwei YanThe electrochemical activity of ECNFs towards...
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The Interplay of manganese and nitrate in hydroxyapatite nanoparticles as...
Phys. Chem. Chem. Phys., 2015, 17,20331-20337DOI: 10.1039/C5CP01986A, PaperMarat Gafurov, Timur Biktagirov, Georgy Mamin, Elena Klimashina, Valery Putlayev, L. Kuznetsova, Sergei OrlinskiiThe interplay...
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Flexible band gap tuning of hexagonal boron nitride sheets interconnected by...
Phys. Chem. Chem. Phys., 2015, 17,20376-20381DOI: 10.1039/C5CP02346G, PaperHongyu Zhang, Youhua Luo, Xiaojuan Feng, Lixia Zhao, Meng ZhangPeriodically embedded acetylenic chains in BN sheets provide...
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Decomposition of O,S-dimethyl methylphosphonothiolate by ammonia on magnesium...
Phys. Chem. Chem. Phys., 2015, 17,20231-20249DOI: 10.1039/C5CP02442K, PaperChandan Sahu, Deepanwita Ghosh, Kaushik Sen, Abhijit K. DasA computational study of the degradation of DMPT on the...
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Insights into collective cell behaviour from populations of coupled chemical...
Phys. Chem. Chem. Phys., 2015, 17,20047-20055DOI: 10.1039/C5CP01964H, PerspectiveAnnette F. Taylor, Mark R. Tinsley, Kenneth ShowalterBiological systems such as yeast show coordinated activity driven...
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Controlling charge injection properties in polymer field-effect transistors...
Phys. Chem. Chem. Phys., 2015, 17,20160-20167DOI: 10.1039/C5CP03369A, PaperDang Xuan Long, Yong Xu, Huai-xin Wei, Chuan Liu, Yong-Young NohA simply synthesized MoO3 is used as charge injection layers...
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Important issues facing model-based approaches to tunneling transport in...
Phys. Chem. Chem. Phys., 2015, 17,20217-20230DOI: 10.1039/C5CP02595H, Paper Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ioan BaldeaThe...
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Facile synthesis of SnO2 nanocrystals anchored onto graphene nanosheets as...
Phys. Chem. Chem. Phys., 2015, 17,20061-20065DOI: 10.1039/C5CP03305E, CommunicationYanjun Zhang, Li Jiang, Chunru WangA SnO2/graphene nanocomposite was prepared via a facile solvothermal process using...
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Interaction of L-alanyl-L-valine and L-valyl-L-alanine with organic vapors:...
Phys. Chem. Chem. Phys., 2015, 17,20168-20177DOI: 10.1039/C5CP03309H, PaperMarat A. Ziganshin, Nadezhda S. Gubina, Alexander V. Gerasimov, Valery V. Gorbatchuk, Sufia A. Ziganshina, Anton P. Chuklanov,...
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Molecular features contributing to the lower viscosity of phosphonium ionic...
Phys. Chem. Chem. Phys., 2015, 17,20205-20216DOI: 10.1039/C5CP00340G, PaperLaura Katharina Scarbath-Evers, Patricia A. Hunt, Barbara Kirchner, Douglas R. MacFarlane, Stefan ZahnClassical molecular...
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Exploring electron pair behaviour in chemical bonds using the extracule density
Phys. Chem. Chem. Phys., 2015, 17,20194-20204DOI: 10.1039/C5CP03280F, PaperAdam J. Proud, Dalton E. C. K. Mackenzie, Jason K. PearsonDeformation of the electronic center-of-mass density reveals...
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Enhanced energy transfer efficiency and stability of europium [small...
Phys. Chem. Chem. Phys., 2015, 17,20322-20330DOI: 10.1039/C5CP03659C, PaperSijing Yi, Jiao Wang, Xiao ChenThe self-assembly of luminescent lyotropic liquid crystals with europium [small...
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Substrate effects on Li+ electrodeposition in Li secondary batteries with a...
Phys. Chem. Chem. Phys., 2015, 17,20398-20406DOI: 10.1039/C5CP02789F, PaperQian Xu, Yifu Yang, Huixia ShaoThe possibility of using Li22Sn5 alloy as the substrate of the metallic Li anode in Li...
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Deformation twinning and the role of amino acids and magnesium in calcite...
Phys. Chem. Chem. Phys., 2015, 17,20178-20184DOI: 10.1039/C5CP03370E, PaperA. S. Cote, R. Darkins, D. M. DuffyWe employ classical molecular dynamics to calculate elastic properties and to model the...
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Computational screening for effective Ge1-xSix nanowire photocatalyst
Phys. Chem. Chem. Phys., 2015, 17,20391-20397DOI: 10.1039/C5CP03077C, PaperTeck L. Tan, Man-Fai NgBand edges of GeSi core-shell structures versus the size and the composition compared to various redox...
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Light-induced water splitting by titanium-tetrahydroxide: a computational study
Phys. Chem. Chem. Phys., 2015, 17,20308-20321DOI: 10.1039/C5CP01812A, PaperAndranik Kazaryan, Rutger van Santen, Evert Jan BaerendsLight induced water splitting by Ti(OH)4 following the hydroxyl...
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Monitoring the intramolecular charge transfer process in the Z907 solar cell...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03314D, PaperNicolo Azzaroli, Maria Grazia Lobello, Andrea Lapini, Alessandro Iagatti, Laura Bussotti, Mariangela Di Donato, Giuseppe...
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Strong electric fields at a prototypical oxide/water interface probed by ab...
Phys. Chem. Chem. Phys., 2015, 17,20382-20390DOI: 10.1039/C5CP02097B, PaperSara Laporte, Fabio Finocchi, Lorenzo Paulatto, Marc Blanchard, Etienne Balan, Francois Guyot, Antonino Marco SaittaWe report...
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Composition-dependent band gaps and indirect-direct band gap transitions of...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02558C, PaperZhen Zhu, Jiamin Xiao, Haibin Sun, Yue Hu, Ronggen Cao, Yin Wang, Li Zhao, Jun ZhuangObtaining the value of the band gap and...
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