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Journal of Molecular Modeling|July 4, 2012
Bis-dibenzo[a.i]fluorenylidene, does it exist as stable 1,2-diradical?Basem Kanawati, Alexander Genest, Philippe Schmitt-Kopplin, et al.Journal of Molecular Modeling|July 4, 2012
Intensity enhancement in the molecular ionization and dissociation dynamics in the presence of noiseLi-Qiang Feng, Tian-Shu ChuJournal of Molecular Modeling|June 16, 2012
Validation of computational approach to study monomer selectivity toward the template Gallic acid for rational molecularly imprinted polymer designSushma Pardeshi, Rajendra Patrikar, Rita Dhodapkar, et al.Journal of Molecular Modeling|June 16, 2012
Thermal conductivity of silicon and carbon hybrid monolayers: a molecular dynamics studyLin Wang, Huai SunJournal of Molecular Modeling|June 16, 2012
Theoretical study on the mechanism of cycloaddition reaction between silylene silylene(H₂Si=Si:) and acetaldehydeXiuhui Lu, Leyi Shi, Hua JiJournal of Molecular Modeling|September 4, 2012
Prodrugs of fumarate esters for the treatment of psoriasis and multiple sclerosis--a computational approachRafik Karaman, Ghadeer Dokmak, Maryam Bader, et al.Journal of Molecular Modeling|July 10, 2012
Non-covalent interactions - QTAIM and NBO analysisSławomir J GrabowskiJournal of Molecular Modeling|June 27, 2012
Theoretical study on ion-pair recognition of M(+)X(-) (M = Li, Na, K and X = F, Cl, Br) by formylaminocalix[4]arene derivativesJu Xie, Guolian Jin, Long Sun, et al.Journal of Molecular Modeling|July 6, 2012
Effect of surface hydroxyls on DME and methanol adsorption over γ-Al(2)O(3) (hkl) surfaces and solvent effects: a density functional theory studyZhi-Jun Zuo, Pei-De Han, Jian-Shui Hu, et al.Journal of Molecular Modeling|March 23, 2010
3D-QSAR studies on caspase-mediated apoptosis activity of phenolic analoguesYuanqiang Wang, Heng Zhang, Yong Lin, et al.Pageof 696