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Journal of Molecular Modeling|June 9, 2019
Theoretical explanation for the pharmaceutical incompatibility through the cooperativity effect of the drug-drug intermolecular interactions in the phenobarbital∙∙∙paracetamol∙∙∙H2O complexFei-Peng Zhai, Hong-En Wei, Yi Liu, et al.Journal of Molecular Modeling|June 21, 2019
Solid state NMR and computational studies on cyclopentadienyl lithiumHaijun Jiao, Walter BauerJournal of Molecular Modeling|September 21, 2021
Thermal strain engineering of mechanical properties in Si-based hybrid sheets via molecular dynamics simulationsK Sadki, M Saaoud, L B DrissiJournal of Molecular Modeling|July 23, 2016
Investigating the mechanism of the selective hydrogenation reaction of cinnamaldehyde catalyzed by Ptn clustersLaicai Li, Wei Wang, Xiaolan Wang, et al.Journal of Molecular Modeling|April 26, 2015
Molecular stacking character and charge transport properties of tetrabenzoheptacenes derivatives: the effects of nitrogen doping and phenyl substitutionLin Guan, Wenliang Wang, Rong Shao, et al.Journal of Molecular Modeling|April 30, 2015
Bacterial nitric oxide reductase: a mechanism revisited by an ONIOM (DFT:MM) studyAmr A A Attia, Radu Silaghi-DumitrescuJournal of Molecular Modeling|May 3, 2015
Screening of novel inhibitors targeting lactate dehydrogenase A via four molecular docking strategies and dynamics simulationsRong Sun, Xin Li, Yuanyuan Li, et al.Journal of Molecular Modeling|April 21, 2015
Effects on lipid bilayer and nitrogen distribution induced by lateral pressureYu Wang, Liang Chen, Xiaogang Wang, et al.Journal of Molecular Modeling|April 21, 2015
Interfacial adhesion between functionalized polyethylene surface and graphene via molecular dynamic simulationS Javan Nikkhah, M R Moghbeli, S M HashemianzadehJournal of Molecular Modeling|August 5, 2016
Theoretical study of coupling p-aminothiophenol to hydroazo- and azo-adducts on Au(111)Xiufeng Lang, Yanhong Liang, Siyan Liu, et al.Pageof 693