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Journal of Molecular Modeling|August 12, 2009
The tri-mu-hydrido-bis[(eta(5)-C (5)Me (5))aluminum(III)] theoretical study, the assets of sandwiched M(2)H (3) (M of 13th group elements) stabilityAbdeladim Guermoune, Al Mokhtar Lamsabhi, Driss Cherqaoui, et al.Journal of Molecular Modeling|August 26, 2009
Experimental and quantum chemical calculational studies on 2-[(4-Fluorophenylimino)methyl]-3,5-dimethoxyphenolHasan Tanak, Ayşen Ağar, Metin YavuzJournal of Molecular Modeling|July 24, 2009
Docking studies on a refined human beta(2) adrenoceptor model yield theoretical affinity values in function with experimental values for R-ligands, but not for S-antagonistsMarvin A Soriano-Ursúa, José G Trujillo-Ferrara, Jesús Alvarez-Cedillo, et al.Journal of Molecular Modeling|September 4, 2009
A UB3LYP and UMP2 theoretical investigation on unusual cation-pi interaction between the triplet state HB=BH (3 Sigma g-) and H+, Li +, Na +, Be 2+ or Mg 2+Fu-de Ren, Jun Ren, Sheng-nan Liu, et al.Journal of Molecular Modeling|September 4, 2009
Probing possible egress channels for multiple ligands in human CYP3A4: a molecular modeling studyNavaneethakrishnan Krishnamoorthy, Poornima Gajendrarao, Sundarapandian Thangapandian, et al.Journal of Molecular Modeling|April 13, 2010
Equivalent potential of water for the electronic structure of glycineMin Peng, Haoping ZhengJournal of Molecular Modeling|September 26, 2009
Antioxidant mechanisms of Quercetin and Myricetin in the gas phase and in solution--a comparison and validation of semi-empirical methodsGonçalo C Justino, Abel J S C VieiraJournal of Molecular Modeling|September 22, 2009
Quantum chemical investigation of intramolecular thione-thiol tautomerism of 1,2,4-triazole-3-thione and its disubstituted derivativesMehdi D Davari, Homayoon Bahrami, Zahra Zolmajd Haghighi, et al.Journal of Molecular Modeling|April 21, 2009
Structure and dynamics of the influenza A M2 channel: a comparison of three structuresHadas Leonov, Isaiah T ArkinJournal of Molecular Modeling|April 24, 2009
Structures and aromaticity of X(2)Y(2)(-) (X = C, Si, Ge and Y = N, P, As) anionsWen Guo Xu, Yuan Chun Zhang, Shi Xiang Lu, et al.Pageof 694