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Physical Chemistry Chemical Physics : PCCP|May 12, 2012
Modelling of the reactivity and stability of carbon nanotubes under environmentally relevant conditionsAmanda S Barnard
Physical Chemistry Chemical Physics : PCCP|May 25, 2012
Cooperative effects at water-crystalline silica interfaces strengthen surface silanol hydrogen bonding. An ab initio molecular dynamics studyFederico Musso, Pierre Mignon, Piero Ugliengo, et al.
Physical Chemistry Chemical Physics : PCCP|May 19, 2012
An interpretation of the absorption and emission spectra of the gold dimer using modern theoretical toolsK R Geethalakshmi, Fernando Ruipérez, Stefan Knecht, et al.
Physical Chemistry Chemical Physics : PCCP|May 19, 2012
Mechanisms of metal ion-coupled electron transferShunichi Fukuzumi, Kei Ohkubo, Yuma Morimoto
Physical Chemistry Chemical Physics : PCCP|September 15, 2015
Three-dimensional N,B-doped graphene aerogel as a synergistically enhanced metal-free catalyst for the oxygen reduction reactionCongcong Xu, Yan Su, Dajun Liu, et al.
Physical Chemistry Chemical Physics : PCCP|September 15, 2015
CH4 dissociation on Ni(111): a quantum dynamics study of lattice thermal motionXiangjian Shen, Zhaojun Zhang, Dong H Zhang
Physical Chemistry Chemical Physics : PCCP|September 15, 2015
100 fs photo-isomerization with vibrational coherences but low quantum yield in Anabaena Sensory RhodopsinAlexandre Cheminal, Jérémie Léonard, So-Young Kim, et al.
Physical Chemistry Chemical Physics : PCCP|September 15, 2015
Theoretical design of the cyclic lipopeptide nanotube as a molecular channel in the lipid bilayer, molecular dynamics and quantum mechanics approachMohammad Khavani, Mohammad Izadyar, Mohammad Reza Housaindokht
Physical Chemistry Chemical Physics : PCCP|September 15, 2015
Volume phase transition mechanism of poly[oligo(ethylene glycol)methacrylate] based thermo-responsive microgels with poly(ionic liquid) cross-linkersYuanyuan Zhou, Hui Tang, Peiyi Wu
Physical Chemistry Chemical Physics : PCCP|September 15, 2015
Mechanistic insights into nitrogen fixation by nitrogenase enzymesJ B Varley, Y Wang, K Chan, et al.
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