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Journal of Molecular Modeling|August 22, 2017
Heteroatom and solvent effects on molecular properties of formaldehyde and thioformaldehyde symmetrically disubstituted with heterocyclic groups C4H3Y (where Y = O-Po)Piotr Matczak, Małgorzata DomagałaJournal of Molecular Modeling|July 10, 2016
Examination of the quality of various force fields and solvation models for the equilibrium simulations of GA88 and GB88Juan Zeng, Yongxiu Li, John Z H Zhang, et al.Journal of Molecular Modeling|July 14, 2016
Influence of the chelator structures on the stability of Re and Tc tricarbonyl complexes with iminodiacetic acid tridentate ligands: a computational studyDaniel Hernández-Valdés, Zalua Rodríguez-Riera, Alicia Díaz-García, et al.Journal of Molecular Modeling|August 27, 2017
On understanding the chemical origin of band gapsJ Contreras-García, Carlos CardenasJournal of Molecular Modeling|July 28, 2017
Modification of 56ACARBO force field for molecular dynamic calculations of chitosan and its derivativesVladimir S Naumov, Stanislav K IgnatovJournal of Molecular Modeling|July 28, 2017
A density functional theory study on the hydrogen bonding interactions between luteolin and ethanolYan-Zhen Zheng, Jing Xu, Qin Liang, et al.Journal of Molecular Modeling|May 12, 2016
Hydrogenated superalkalis and their possible applicationsAmbrish Kumar Srivastava, Neeraj MisraJournal of Molecular Modeling|May 12, 2016
Cage-like B40 (+): a perfect borospherene monocationHai-Ru Li, Qiang Chen, Xin-Xin Tian, et al.Journal of Molecular Modeling|June 17, 2016
Binuclear rhenium carbonyl nitrosyls related to dicobalt octacarbonyl and their decarbonylation productsBing Xu, Qian-Shu Li, Yaoming Xie, et al.Journal of Molecular Modeling|May 18, 2016
QM/MM investigation of the catalytic mechanism of angiotensin-converting enzymeXia Mu, Chunchun Zhang, Dingguo XuPageof 695