Showing results (1451-1460 of 11,388) with videos related to
Sort By:
Pageof 1,139
Journal of Chemical Theory and Computation|November 29, 2015
An Atomic Counterpoise Method for Estimating Inter- and Intramolecular Basis Set Superposition ErrorsFrank JensenJournal of Chemical Theory and Computation|November 29, 2015
A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions - Assessment of Common and Reparameterized (meta-)GGA Density FunctionalsLars Goerigk, Stefan GrimmeJournal of Chemical Theory and Computation|November 29, 2015
Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units and a Mixed Precision Matrix Multiplication LibraryRoberto Olivares-Amaya, Mark A Watson, Richard G Edgar, et al.Journal of Chemical Theory and Computation|November 29, 2015
Accurate Intermolecular Interaction Energies from a Combination of MP2 and TDDFT Response TheoryMichal Pitoňák, Andreas HeßelmannJournal of Chemical Theory and Computation|November 29, 2015
Modeling the Excited States of Biological Chromophores within Many-Body Green's Function TheoryYuchen Ma, Michael Rohlfing, Carla MolteniJournal of Chemical Theory and Computation|November 29, 2015
An Improved Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB) Set of Parameters for Simulation of Bulk and Molecular Systems Involving TitaniumGrygoriy Dolgonos, Bálint Aradi, Ney H Moreira, et al.Journal of Chemical Theory and Computation|November 29, 2015
A Transferable H-Bonding Correction for Semiempirical Quantum-Chemical MethodsMartin Korth, Michal Pitoňák, Jan Řezáč, et al.Journal of Chemical Theory and Computation|December 1, 2015
Mechanical Properties of Coarse-Grained Bilayers Formed by Cardiolipin and Zwitterionic LipidsMartin Dahlberg, Arnold MaliniakJournal of Chemical Theory and Computation|December 1, 2015
A Statistical Framework for Hierarchical Methods in Molecular Simulation and DesignDavid F GreenJournal of Chemical Theory and Computation|December 1, 2015
Theoretical Investigation of Solvent Effects on Glycosylation Reactions: Stereoselectivity Controlled by Preferential Conformations of the Intermediate Oxacarbenium-Counterion ComplexHiroko Satoh, Halvor S Hansen, Shino Manabe, et al.Pageof 1,139