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Azide addition to Sc2@C66: favorable activity on unsaturated linear...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03737A, CommunicationQiao-Zhi Li, Jia-Jia Zheng, Xiang ZhaoAzide additions on C66 and Sc2@C66: the best reactive sites are both located on...
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Organic photovoltaics without p-n junctions: a computational study of...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02448J, PaperAndrzej L. SobolewskiA ferroelectrically arranged intermolecular hydrogen bond network provides a force for splitting exciton...
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Effect of annealing in oxygen on alloy structures of Pd-Au bimetallic model...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP03515E, PaperWen-Yueh Yu, Liang Zhang, Gregory M. Mullen, Edward J. Evans, Graeme Henkelman, C. Buddie MullinsAnnealing in an oxygen...
View ArticleWater-catalyzed mechanism of the ring-opening reaction of glucose
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03357H, PaperWojciech Plazinski, Anita Plazinska, Mateusz DrachThe hexopyranose mutarotation is an important focus for carbohydrate...
View ArticleSoft X-ray absorption spectroscopy of Ar$_{2}$ and ArNe dimers and small Ar...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03276H, PaperGhazal Jabbari, Tsveta Miteva, Vasili Stumpf, Kirill Gokhberg, Patrick O'Keeffe, Alessandra Ciavardini, Paola Bolognesi,...
View ArticleDerivation of coarse-grained simulation models of chlorophyll molecules in...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP01140J, PaperAnanya Debnath, Sabine Wiegand, Harald Paulsen, Kurt Kremer, Christine PeterThe correct interplay of interactions between...
View ArticleSpecific ion effects on the hydrophobic interaction of benzene self-assembled...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP01803J, PaperSoren Dobberschutz, Morten Rimmen, Tue Hassenkam, Martin Peter Andersson, Susan StippThe interaction of aromatic...
View ArticleThermodynamics of Fe3O4 - Co3O4 and Fe3O4 - Mn3O4 Spinel Solid Solutions at...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02972D, PaperSulata Sahu, Baiyu Huang, Kristina Lilova, Brian F Woodfield, Alexandra NavrotskyHigh temperature oxide melt solution...
View ArticleMolecular Dynamics Simulations and NMR Spectroscopy Studies of...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02472B, PaperJon Kapla, Olof Engstrom, Baltzar Stevensson, Jakob Wohlert, Goran Widmalm, Arnold MaliniakThe disaccharide trehalose...
View ArticlePhotochemistry of Nitrate Chemisorbed on Various Metal Oxide Surfaces
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02903A, PaperDaniel M.B. Lesko, Ellen M. Coddens, Hannah D Swomley, Rachel M. Welch, Jaya Borgatta, Juan NaveaAtmospheric aerosols are...
View ArticleA Means to an Interface: Investigating Monoethanolamine Behavior at an...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02931G, PaperLaura E McWilliams, Nicholas A Valley, Sumi N Wren, geraldine RichmondThe use of amine scrubbers to trap carbon dioxide...
View ArticleEffects of Constituent Ions of a Phosphonium-based Ionic Liquid on Molecular...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02329G, PaperTakeshi Morita, Kumiko Miki, Ayako Nitta, Hiroyo Ohgi, Peter WesthAqueous solutions of tetrabutylphosphonium...
View ArticleFormation of bcc and fcc during the coalescence of free and supported Fe and...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02929E, PaperQiang Wang, Guojian Li, Xudong Sui, Kai Wang, Chun Wu, Jicheng HeThe formation of bcc and fcc during the coalescence of...
View ArticleThermal Lensing Effect of CS2 Studied with Femtosecond Laser Pulses
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP01796C, PaperYi-ci Li, Yu-Ting Kuo, Po-Yuan Huang, Sidney S. Yang, Cheng-I Lee, Tai-Huei WeiBy chopping 820 nm 18 femtosecond...
View ArticleRelative stability and reducibility of CeO2 and Rh/CeO2 species on the...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02547H, PaperIskra Z Koleva, Hristiyan A Aleksandrov, Georgi N Vayssilov, Renata Duarte, Jeroen A. van BokhovenWe report the structure...
View ArticleComputational design of faster rotating second-generation light-driven...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02303C, PaperBaswanth Oruganti, Changfeng Fang, Bo DurbeejWe report a systematic computational investigation of the possibility to...
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Cold water cleaning of brain proteins, biofilm and bone - harnessing an...
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02406D, PaperP. R. Birkin, D. G. Offin, C. J. B. Vian, R. P. Howlin, J. I. Dawson, T. J. Secker, R. C. Herve, P. Stoodley, R. O. C....
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Direct observation of vinyl hydroperoxide
Phys. Chem. Chem. Phys., 2015, Advance ArticleDOI: 10.1039/C5CP02917A, CommunicationFang Liu, Yi Fang, Manoj Kumar, Ward H. Thompson, Marsha I. LesterA doubly hydrogen-bonded interaction between the...
View ArticleMagnetic anomalies and itinerant character of electrochemically Li-inserted...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP02999F, PaperKazuhiko Mukai, Jun SugiyamaSpinel oxides of Li[LiyTi2-y]O4 with 0 [less-than-or-equal] y [less-than-or-equal] 1/3...
View ArticleHydrogen-bonded ring closing and opening of protonated methanol clusters...
Phys. Chem. Chem. Phys., 2015, Accepted ManuscriptDOI: 10.1039/C5CP03379A, PaperYin- Chen Li, Toru Hamashima, Ryoko Yamazaki, Tomohiro Kobayashi, Yuta Suzuki, Kenta Mizuse, Asuka Fuji, Jer-Lai KuoThe...
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