Showing results (1191-1200 of 6,952) with videos related to
Sort By:
Pageof 696
Journal of Molecular Modeling|January 22, 2015
Molecular dynamics simulation of melting and crystallization processes of polyethylene clusters confined in armchair single-walled carbon nanotubesZhou Zhou, Jinjian Wang, Xiaolei Zhu, et al.Journal of Molecular Modeling|January 22, 2015
Charge transfer complexes of fullerene[60] with porphyrins as molecular rectifiers. A theoretical studyFiliberto Montiel, Lioudmila Fomina, Serguei FomineJournal of Molecular Modeling|August 7, 2012
Density functional investigation of CO adsorption on Ni-doped single-walled armchair (5,5) boron nitride nanotubesSarawut Tontapha, Vithaya Ruangpornvisuti, Banchob WannoJournal of Molecular Modeling|August 9, 2012
Hydrogen dissociation on diene-functionalized carbon nanotubesJavad Beheshtian, Ali Ahmadi Peyghan, Zargham BagheriJournal of Molecular Modeling|September 25, 2012
Ion disturbance and clustering in the NaCl water solutionsQiang Zhang, Xia Zhang, Dong-Xia ZhaoJournal of Molecular Modeling|September 22, 2012
Proton affinity of para-substituted acetophenones in gas phase and in solution: a theoretical studyAbir Haloui, Ezzeddine HalouiJournal of Molecular Modeling|September 11, 2012
Effect of stepwise microhydration on the methylammonium···phenol and ammonium···phenol interactionAna A Rodríguez-Sanz, J Carrazana-García, Enrique M Cabaleiro-Lago, et al.Journal of Molecular Modeling|September 27, 2012
Molecular dynamics analysis of a series of 22 potential farnesyltransferase substrates containing a CaaX-motifSérgio F Sousa, João T S Coimbra, Diogo Paramos, et al.Journal of Molecular Modeling|September 27, 2012
Molecular dipole effects on tuning electron transfer in a porphine-quinone complex: a DFT and TDDFT studyOana Cramariuc, Pekka J Aittala, Terttu I HukkaJournal of Molecular Modeling|August 28, 2012
Insight into substituent effects in Cal-B catalyzed transesterification by combining experimental and theoretical approachesZhong Ni, Xianfu LinPageof 696