Excitons in poly(para phenylene vinylene): A quantum-chemical perspective...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP07077E, PaperStefanie A. Mewes, Jan-Michael Mewes, Andreas Dreuw, Felix PlasserExcitonic effects play a fundamental role in the...
View ArticleSymmetry-breaking in the H2@C60 endofullerene revealed by inelastic neutron...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP07146A, PaperSalvatore Mamone, Mark Johnson, Jacques Ollivier, Stephane Rols, Malcolm H Levitt, Anthony J. HorsewillThe fine structure...
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Characterizing the nanoclay induced constrained amorphous region in model...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP05260B, PaperSangram K. Rath, Kathi Sudarshan, Rupesh S. Bhavsar, Ulhas K. Kharul, Pradeep K. Pujari, Manoranjan Patri, Devang V....
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In silico rational design of ionic liquids for the exfoliation and dispersion...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP05376E, PaperGregorio Garcia, Mert Atilhan, Santiago AparicioA requirement for exploiting most of the unique properties of boron-nitride...
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Structural motifs of 2-(2-fluoro-phenyl)-ethylamine conformers
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06131H, PaperNitzan Mayorkas, Hanan Sachs, Markus Schutz, Shun-ichi Ishiuchi, Masaaki Fujii, Otto Dopfer, Ilana BarVibronic and...
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Understanding performance limitation and suppression of leakage current or...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP05459A, PerspectiveInnocent S. Ike, Iakovos Sigalas, Sunny IyukeSelf-discharge is known to have considerable adverse effects on the...
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The effect of electrolyte composition on the electroreduction of CO2 to CO on...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP05665A, PaperSumit Verma, Xun Lu, Sichao Ma, Richard I. Masel, Paul J. A. KenisWe systematically investigate the effect of electrolytes on...
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TiO2-modified CNx nanowires as a Pt electrocatalyst support with high...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06115F, PaperJ. Tang, H. M. MengA Pt/TiO2-modified carbon nitride nanofiber (Pt/TiO2-CNx) catalyst has been synthesized by a chemical...
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Hybrid materials of ZnO nanostructures with reduced graphene oxide and gold...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP05081B, PaperK. Bramhaiah, Vidya N. Singh, Neena S. JohnBinary and ternary systems of rGO, Au and ZnO with nanoparticle and nanorod...
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Realizing diverse electronic and magnetic properties in hybrid zigzag BNC...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06069A, PaperYuanhui Sun, Guangtao Yu, Jingwei Liu, Xiaopeng Shen, Xuri Huang, Wei ChenHydrogenation is an effective strategy to precisely...
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A computational study of lithium interaction with tetracyanoethylene (TCNE)...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06140G, PaperYingqian Chen, Sergei ManzhosThe formation of a cyclic structure from TCNE stabilized by lithium attachment.To cite this...
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Fabrication of superhydrophilic-underwater superoleophobic inorganic...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06305A, PaperLuyan Liu, Chen Chen, Siyu Yang, Hua Xie, MaoGang Gong, Xiaoliang XuSynergistic superhydrophilic-underwater superoleophobic...
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Fmoc-RGDS based fibrils: atomistic details of their hierarchical assembly
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP04269K, PaperDavid Zanuy, Jordi Poater, Miquel Sola, Ian W. Hamley, Carlos AlemanWe describe the 3D supramolecular structure of Fmoc-RGDS...
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A study of the interfacial resistive switching mechanism by proton exchange...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06507K, CommunicationFei Zhou, Yao-Feng Chang, Ying-Chen Chen, Xiaohan Wu, Ye Zhang, Burt Fowler, Jack C. LeeLocalized oxygen deficiency...
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Micro- and nano-tubules built from loosely and tightly rolled up thin sheets
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06084B, PaperLuisa Losensky, Bjorn Goldenbogen, Gudrun Holland, Michael Laue, Anca Petran, Jurgen Liebscher, Holger A. Scheidt, Alexander...
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Prediction of two planar carbon allotropes with large meshes
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP04319K, PaperShuangYing Ma, L. Z. Sun, K. W. ZhangTwo novel two-dimensional (2D) carbon allotropes named Cy and Cz with large meshes are...
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Molecular origin of high free energy barriers for alkali metal ion transfer...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP05973A, PaperVladislav Ivanistsev, Trinidad Mendez-Morales, Ruth M. Lynden-Bell, Oscar Cabeza, Luis J. Gallego, Luis M. Varela, Maxim V....
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The effect of iron re-deposition on the corrosion of impurity-containing...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP05577F, Paper Open Access  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Daniel Hoche,...
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On the explanation of hysteresis in the adsorption of ammonia on graphitized...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06034F, PaperYonghong Zeng, D. D. Do, Toshihide Horikawa, D. Nicholson, Kazuyuki NakaiThe entropic effect of temperature dominates the...
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Physical state of cellulose in BmimCl: dependence of molar mass on...
Phys. Chem. Chem. Phys., 2016, Advance ArticleDOI: 10.1039/C5CP06616F, PaperYongjun Ahn, Seung-Yeop Kwak, Younghan Song, Hyungsup KimMonitoring cellulose depolymerization and phase transition in ionic...
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