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Journal of Molecular Modeling|March 9, 2019
Molecular docking and dynamic studies of crepiside E beta glucopyranoside as an inhibitor of snake venom PLA2Mala S Kumar, Amjesh R, Silpa Bhaskaran, et al.Journal of Molecular Modeling|February 23, 2019
Theoretical study of adsorption characteristics and the environmental influence for metronidazole on photocatalytic TiO2 anatase surfacesQiaoqiao Qin, Haichuan Qin, Hui Luo, et al.Journal of Molecular Modeling|February 24, 2017
Polaron stability in oligoacene crystalsMarcelo Lopes Pereira Junior, Luiz Antonio Ribeiro JuniorJournal of Molecular Modeling|April 29, 2014
Does cation break the cyano bond? A critical evaluation of nitrile-cation interactionPei Meng Woi, Maizathul Akmam A Bakar, Ahmad Nazmi Rosli, et al.Journal of Molecular Modeling|May 1, 2014
A theoretical and experimental evaluation of imidazolium-based ionic liquids for atmospheric mercury captureCristina Iuga, Corina Solís, J Raúl Alvarez-Idaboy, et al.Journal of Molecular Modeling|November 23, 2016
Molecular high-order harmonic spectra and its application to the generation of the isolated attosecond pulseLi-Qiang Feng, Hang Liu, Wenliang Li, et al.Journal of Molecular Modeling|December 30, 2016
A DFT computational study of the molecular mechanism of [3 + 2] cycloaddition reactions between nitroethene and benzonitrile N-oxidesRadomir Jasiński, Ewa Jasińska, Ewa DreslerJournal of Molecular Modeling|December 30, 2016
Reactivity and regioselectivity in reactions of methyl and ethyl azides with cyclooctynes: activation strain model and energy decomposition analysisFelipe de S Vilhena, José Walkimar de M CarneiroJournal of Molecular Modeling|February 20, 2017
Subtle.Nets.Finder: finely tuned interaction networks in DNA/RNA/protein complexesAlexander A KantardjievJournal of Molecular Modeling|February 17, 2017
Microscopic progression in the free radical addition reaction: modeling, geometry, energy, and kineticsYun Zhang, Hong Huang, Zhiling Liang, et al.Pageof 695