Showing results (1121-1130 of 11,386) with videos related to
Sort By:
Pageof 1,139
Journal of Chemical Theory and Computation|November 24, 2015
A GROMOS Parameter Set for Vicinal Diether Functions: Properties of Polyethyleneoxide and PolyethyleneglycolPatrick F J Fuchs, Halvor S Hansen, Philippe H Hünenberger, et al.Journal of Chemical Theory and Computation|November 24, 2015
A Valence Bond Description of the Prefulvene Extended Conical Intersection Seam of BenzeneLluís Blancafort, Michael A RobbJournal of Chemical Theory and Computation|November 24, 2015
Energetics and Mechanism of the Hydrogenation of XHn for Group IV to Group VII Elements XElfi Kraka, Wenli Zou, Marek Freindorf, et al.Journal of Chemical Theory and Computation|November 24, 2015
Fragment Molecular Orbital Molecular Dynamics with the Fully Analytic Energy GradientKurt R Brorsen, Noriyuki Minezawa, Feng Xu, et al.Journal of Chemical Theory and Computation|November 24, 2015
Quasi-Continuous Interpolation Scheme for Pathways between Distant ConfigurationsDavid J Wales, Joanne M CarrJournal of Chemical Theory and Computation|November 24, 2015
Mechanism of the Reduction of an Oxidized Glutathione Peroxidase Mimic with ThiolsGavin S Heverly-Coulson, Russell J BoydJournal of Chemical Theory and Computation|November 24, 2015
Exploring Potential Energy Surfaces of Electronic Excited States in Solution with the EOM-CCSD-PCM MethodMarco CaricatoJournal of Chemical Theory and Computation|November 24, 2015
The Binding of Fe(II)-Heme to the Amyloid Beta Peptide of Alzheimer's Disease: QM/MM InvestigationsSamira Azimi, Arvi RaukJournal of Chemical Theory and Computation|November 24, 2015
Automated Transition State Searches without Evaluating the HessianShaama Mallikarjun Sharada, Paul M Zimmerman, Alexis T Bell, et al.Journal of Chemical Theory and Computation|November 24, 2015
Transition State Search Using a Guided Direct Inversion in the Iterative Subspace MethodJoseph W May, Jeremy D Lehner, Michael J Frisch, et al.Pageof 1,139