Showing results (1841-1850 of 7,078) with videos related to
Sort By:
Pageof 708
Journal of Molecular Modeling|April 25, 2016
Applying PyRosetta molecular energies to separate properly oriented protein models from mirror models, obtained from contact mapsMonika Kurczynska, Ewa Kania, Bogumil M Konopka, et al.Journal of Molecular Modeling|April 17, 2016
First-principles study of water desorption from montmorillonite surfaceYao Zhang, Yingfeng Meng, Houbin Liu, et al.Journal of Molecular Modeling|April 17, 2016
Theoretical investigations on the stability of alkali metal substituted phenylpentazoleXueli Zhang, Xuedong GongJournal of Molecular Modeling|February 22, 2016
Molecular dynamics simulations of a lithium/sodium carbonate mixtureAlistar Ottochian, Chiara Ricca, Frederic Labat, et al.Journal of Molecular Modeling|February 23, 2016
On the vibrational behavior of single- and double-walled carbon nanotubes under the physical adsorption of biomolecules in the aqueous environment: a molecular dynamics studyS Ajori, R Ansari, M DarvizehJournal of Molecular Modeling|December 10, 2015
Cooperative effects between halogen bonds and pnicogen bonds in XBr∙∙∙OFH2P∙∙∙NH3 (X = F, Cl, CN, NC, OH, and NO2) complexesQiang ZhaoJournal of Molecular Modeling|December 4, 2015
Theoretical investigations of the electronic structures of carbazole-based triphenylphosphine oxide derivatives, potential bipolar host materials in blue-phosphorescent devicesHuili Sun, Wei Shen, Xiaguang Zhang, et al.Journal of Molecular Modeling|February 19, 2016
Mechanisms and reactivity differences for the cobalt-catalyzed enantioselective intramolecular hydroacylation of ketones and alkenes: insights from density functional calculationsQingxi Meng, Fen WangJournal of Molecular Modeling|December 15, 2015
Triphenylamine-based indoline derivatives for dye-sensitized solar cells: a density functional theory investigationXue-Feng Ren, Guo-Jun Kang, Qiong-Qiong HeJournal of Molecular Modeling|October 20, 2017
Substituent effects on the electronic structures and nonlinear optical properties of Li-doped nano-carbon bowlYao-Dong Song, Liang Wang, Li-Ming WuPageof 708