Showing results (3301-3310 of 5,977) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|July 8, 2011
Ab initio molecular dynamics of protonated water clusters by integrated multicenter molecular-orbital methodTaro Udagawa, Shogo SakaiJournal of Computational Chemistry|May 28, 2011
Quantitative symmetry and chirality--a fast computational algorithm for large structures: proteins, macromolecules, nanotubes, and unit cellsChaim Dryzun, Amir Zait, David AvnirJournal of Computational Chemistry|April 19, 2011
MDAnalysis: a toolkit for the analysis of molecular dynamics simulationsNaveen Michaud-Agrawal, Elizabeth J Denning, Thomas B Woolf, et al.Journal of Computational Chemistry|June 10, 2011
CORAL: quantitative structure-activity relationship models for estimating toxicity of organic compounds in ratsA P Toropova, A A Toropov, E Benfenati, et al.Journal of Computational Chemistry|May 21, 2011
He 2++ molecular ion in a strong time-dependent magnetic field: a current-density functional studyVikasJournal of Computational Chemistry|May 21, 2011
The structure, properties, and nature of HArF-HOX (X = F, Cl, Br) complex: an ab initio study and an unusual short hydrogen bondQing-Zhong Li, Jun-Ling Zhao, Bo Jing, et al.Journal of Computational Chemistry|May 21, 2011
Theoretical study of valance photoelectron spectra of hypoxanthine, xanthine, and caffeine using direct symmetry-adapted cluster/configuration interaction methodologyHossein Farrokhpour, Fariman FathiJournal of Computational Chemistry|May 21, 2011
Molecular mechanical study of halogen bonding in drug discoveryMahmoud A A IbrahimJournal of Computational Chemistry|January 8, 2015
Internal coordinate density of state from molecular dynamics simulationPin-Kuang Lai, Shiang-Tai LinJournal of Computational Chemistry|January 8, 2015
Etomica: an object-oriented framework for molecular simulationAndrew J Schultz, David A KofkePageof 598