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Journal of Computational Chemistry|June 14, 2005
Structure and stability of beta-pleated sheetsAndrás Perczel, Zoltán Gáspári, Imre G CsizmadiaJournal of Computational Chemistry|August 13, 2008
Combined NMR three-bond scalar coupling measurements and QM calculations to calculate OH-rotamer equilibrium of polyalcoholsKatalin E Kövér, Tamás Beke, András Lipták, et al.Journal of Computational Chemistry|August 5, 2008
A molecular mechanics force field for ligninLoukas Petridis, Jeremy C SmithJournal of Computational Chemistry|August 6, 2008
Selective oxidation of styrene on an oxygen-adsorbed Au(111): A density functional theory studyLi-Qin Xue, Xian-Yong Pang, Gui-Chang WangJournal of Computational Chemistry|August 6, 2008
Intruder states in multireference perturbation theory: the ground state of manganese dimerCristopher Camacho, Henryk A Witek, Shigeyoshi YamamotoJournal of Computational Chemistry|September 10, 2008
Mesoscopic model for mechanical characterization of biological protein materialsGwonchan Yoon, Hyeong-Jin Park, Sungsoo Na, et al.Journal of Computational Chemistry|September 10, 2008
Comments on the molecular geometry of ferrocene: The dangers of using quantum chemistry programs as black boxesJason Martin, Jon Baker, Peter PulayJournal of Computational Chemistry|September 10, 2008
Performance of density functional models to reproduce observed (13)C(alpha) chemical shifts of proteins in solutionJorge A Vila, Héctor A Baldoni, Harold A ScheragaJournal of Computational Chemistry|September 12, 2008
Can the hybrid meta GGA and DFT-D methods describe the stacking interactions in conjugated polymers?Ahmed Dkhissi, Jean Marie Ducéré, Ralf Blossey, et al.Journal of Computational Chemistry|September 14, 2016
Exponential repulsion improves structural predictability of molecular dockingVáclav Bazgier, Karel Berka, Michal Otyepka, et al.Pageof 593