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Journal of Molecular Modeling|January 22, 2013
Investigations of dipeptide structures containing pyrrolysine as N-terminal residues: a DFT study in gas and aqueous phaseGunajyoti DasJournal of Molecular Modeling|January 23, 2013
Computational design of glutamate dehydrogenase in Bacillus subtilis nattoLi-Li Chen, Jia-Le Wang, Yu Hu, et al.Journal of Molecular Modeling|April 6, 2013
Tunable differential conductance of single wall C/BN nanotube heterostructureHuaping Xiao, Chuanxiao Zhang, Kaiwang Zhang, et al.Journal of Molecular Modeling|April 9, 2013
A large gap opening of graphene induced by the adsorption of CO on the Al-doped siteAli Ahmadi Peyghan, Maziar Noei, Mohammad Bigdeli TabarJournal of Molecular Modeling|April 23, 2013
Theoretical studies of energetic nitrogen-rich ionic salts composed of substituted 5-nitroiminotetrazolate anions and various cationsFang Xiang, Weihua Zhu, Heming XiaoJournal of Molecular Modeling|April 24, 2013
Structural transitions in mixed ternary noble gas clustersXia Wu, Yan Sun, Yin-Chun Gao, et al.Journal of Molecular Modeling|April 24, 2013
Density functional theory study of epoxy polymer chains adsorbing onto single-walled carbon nanotubes: electronic and mechanical propertiesMorteza Ghorbanzadeh Ahangari, Abdolhosein Fereidoon, Masoud Darvish GanjiJournal of Molecular Modeling|May 8, 2013
Study on the role of SBA-15 in the oxidative dehydrogenation of n-butane over vanadia catalyst using density functional theoryNguyen Ngoc Ha, Ngo Duc Huyen, Le Minh CamJournal of Molecular Modeling|April 11, 2013
DFT studies of the conversion of four mesylate esters during reaction with ammoniaAndrzej Nowacki, Karol Sikora, Barbara Dmochowska, et al.Journal of Molecular Modeling|April 16, 2013
Assessment of the photosensitization properties of cationic porphyrins in interaction with DNA nucleotide pairsGloria I Cárdenas-Jirón, Luis CortezPageof 695