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Journal of Molecular Modeling|February 18, 2010
A density functional study towards substituent effects on anion sensing with urea receptorsAmrita Ghosh, D Amilan Jose, Amitava Das, et al.Journal of Molecular Modeling|February 18, 2010
Analysis of anisotropic effects in trinuclear metal carbonyl compounds by visualization of through-space NMR shieldingMartha T de Araujo, Eluzir P Chacon, José W de M Carneiro, et al.Journal of Molecular Modeling|February 20, 2010
Ab initio studies on the reactivity of the CF3OCH 2O radical: thermal decomposition vs. reaction with O2Hari Ji Singh, Bhupesh Kumar MishraJournal of Molecular Modeling|August 25, 2016
Dissipative particle dynamics simulations of the viscosities of molten TNT and molten TNT suspensions containing nanoparticlesYang Zhou, Yixue Li, Wen Qian, et al.Journal of Molecular Modeling|August 27, 2016
Exploring 3D structure of human gonadotropin hormone receptor at antagonist state using homology modeling, molecular dynamic simulation, and cross-docking studiesAmirhossein Sakhteman, Minasadat Khoddami, Manica Negahdaripour, et al.Journal of Molecular Modeling|May 14, 2017
Theoretical study of noncovalent interactions in XCN···YO2H (X = F, Cl, Br, I; Y = P, As, Sb) complexesQiang ZhaoJournal of Molecular Modeling|June 23, 2017
A QM/MM study on the enzymatic inactivation of cefotaximeIgnacio Lizana, Eduardo J DelgadoJournal of Molecular Modeling|June 11, 2017
A novel way to calculate the diffusivity of water in carbon nanotubesLei Li, Hui Zhang, Xiaofeng YangJournal of Molecular Modeling|November 12, 2005
An ab initio study of the guanidinium groups in saxitoxinAnne-Marie Sapse, Robert Rothchild, Kyu RheeJournal of Molecular Modeling|November 12, 2005
The first intermediates in the bromination of bicyclo[3.3.1]nonylidenebicyclo[3.3.1]nonane, combination of experiments and theoretical resultsCinzia Chiappe, Christian Silvio Pomelli, Dieter Lenoir, et al.Pageof 694