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Journal of Molecular Modeling|September 2, 2019
Interaction of H2O with (CuS)n, (Cu2S)n, and (ZnS)n small clusters (n = 1-4, 6): relation to the aggregation characteristics of metal sulfides at aqueous solutionsKerry Wrighton-Araneda, René Ruby-Figueroa, Humberto Estay, et al.Journal of Molecular Modeling|May 20, 2015
Towards thermally stable cyclophanediene-dihydropyrene photoswitchesNasir Khan, Nadeem S Sheikh, Ather F Khan, et al.Journal of Molecular Modeling|May 4, 2015
Energetic salts from nitroformate ionPandurang M Jadhav, S Radhakrishnan, Vikas D Ghule, et al.Journal of Molecular Modeling|June 6, 2015
Characterization of interactions and pharmacophore development for DFG-out inhibitors to RET tyrosine kinaseChunxia Gao, Morten Grøtli, Leif A ErikssonJournal of Molecular Modeling|May 2, 2015
The reactivity of phenancyl bromide under β-cyclodextrin as supramolecular catalyst: a computational surveyYali Wan, Xueye Wang, Na LiuJournal of Molecular Modeling|July 6, 2015
Using of TiN-nanotubes and Cu-nanoparticles for conversion of CO2 to hydrocarbon fuelsLeila MahdavianJournal of Molecular Modeling|May 14, 2015
Comparative study of small boron, silicon and germanium clusters: B(m)Si(n) and B(m)Ge(n) (m + n = 2-4)Leonardo T Ueno, Valéria O Kiohara, Luiz F A Ferrão, et al.Journal of Molecular Modeling|May 14, 2015
Quantum chemical investigation on the role of Li adsorbed on anatase (101) surface nano-materials on the storage of molecular hydrogenV Srinivasadesikan, P Raghunath, M C LinJournal of Molecular Modeling|July 15, 2015
Functional role of R462 in the degradation of hyaluronan catalyzed by hyaluronate lyase from Streptococcus pneumoniaeFengxue Li, Dingguo XuJournal of Molecular Modeling|July 15, 2015
Universal short-range ab initio atom-atom potentials for interaction energy contributions with an optimal repulsion functional formJan K Konieczny, W Andrzej SokalskiPageof 698