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Journal of Molecular Modeling|December 1, 2011
First-principles study of energetic complexes (II): (5-cyanotetrazolato-N2) pentaammine cobalt (III) perchlorate (CP) and Ni, Fe and Zn analoguesJing Shang, Jian-Guo Zhang, Tong-Lai Zhang, et al.Journal of Molecular Modeling|May 31, 2012
Molecular design of modified polyacrylamide for the salt toleranceLin Yao, Panke Chen, Bin Ding, et al.Journal of Molecular Modeling|May 31, 2012
Some insights into the binding mechanism of Aurora B kinase gained by molecular dynamics simulationRui Xiong, Xiao-Mei Cai, Jing Wei, et al.Journal of Molecular Modeling|May 31, 2012
Stochastic simulation of structural properties of natively unfolded and denatured proteinsDavid Curcó, Catherine Michaux, Guillaume Roussel, et al.Journal of Molecular Modeling|May 31, 2012
Density functional theory calculations on the thermodynamic properties of polynitrosoprismanesWeijie Chi, Guangdong Sun, Tao Liu, et al.Journal of Molecular Modeling|June 2, 2012
Photodissociation of a ruthenium(II) arene complex and its subsequent interactions with biomolecules: a density functional theory studyHanlu Wang, Nathan J DeYonker, Xiting Zhang, et al.Journal of Molecular Modeling|June 9, 2012
Electronic sensor for sulfide dioxide based on AlN nanotubes: a computational studyJavad Beheshtian, Mohammad T Baei, Ali Ahmadi Peyghan, et al.Journal of Molecular Modeling|May 4, 2012
Theoretical investigation on the heats of formation and detonation performance in polydinitroaminocubanesWeijie Chi, Xiuyan Wang, Butong Li, et al.Journal of Molecular Modeling|June 12, 2012
Binding effects of Mn²⁺ and Zn²⁺ ions on the vibrational properties of guanine-cytosine base pairs in the Watson-Crick and Hoogsteen configurationsCristian Morari, Diana Bogdan, Cristina M MunteanJournal of Molecular Modeling|May 17, 2012
NMR and NQR study of Si-doped (6,0) zigzag single-walled aluminum nitride nanotube as n or P-semiconductorsMohammad T Baei, Ali Ahmadi Peyghan, Khadijeh Tavakoli, et al.Pageof 694