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Physical Chemistry Chemical Physics : PCCP|March 25, 2016
Silane-initiated nucleation in chemically active plasmas: validation of density functionals, mechanisms, and pressure-dependent variational transition state calculationsJunwei Lucas Bao, Donald G TruhlarJournal of Chemical Theory and Computation|December 3, 2015
Electrostatically Embedded Many-Body Expansion for Large Systems, with Applications to Water ClustersErin E Dahlke, Donald G TruhlarJournal of Chemical Theory and Computation|December 4, 2015
Electrostatically Embedded Many-Body Correlation Energy, with Applications to the Calculation of Accurate Second-Order Møller-Plesset Perturbation Theory Energies for Large Water ClustersErin E Dahlke, Donald G TruhlarJournal of Chemical Theory and Computation|December 2, 2015
Zn Coordination Chemistry: Development of Benchmark Suites for Geometries, Dipole Moments, and Bond Dissociation Energies and Their Use To Test and Validate Density Functionals and Molecular Orbital TheoryElizabeth A Amin, Donald G TruhlarJournal of Chemical Theory and Computation|November 19, 2024
Creating Benchmarks for Lithium Clusters and Using Them for Testing and ValidationMaryam Mansoori Kermani, Donald G TruhlarPhysical Chemistry Chemical Physics : PCCP|February 1, 2011
Comment on "Optical conversion of conical intersection to avoided crossing" by Y. Arasaki and K. Takatsuka, Phys. Chem. Chem. Phys., 2010, 12, 1239Donald G Truhlar, C Alden MeadThe Journal of Chemical Physics|August 3, 2017
Full-dimensional multi-state simulation of the photodissociation of thioanisoleShaohong L Li, Donald G TruhlarJournal of Chemical Theory and Computation|November 24, 2015
Accelerating the Convergence and Reducing the Variance of Path Integral Calculations of Quantum Mechanical Free Energies by Using Local Reference PotentialsSteven L Mielke, Donald G TruhlarJournal of Chemical Theory and Computation|December 4, 2015
A New Algorithm for Efficient Direct Dynamics Calculations of Large-Curvature Tunneling and Its Application to Radical Reactions with 9-15 AtomsAntonio Fernández-Ramos, Donald G TruhlarJournal of Chemical Theory and Computation|December 2, 2015
Electrostatically Embedded Many-Body Expansion for SimulationsErin E Dahlke, Donald G TruhlarPageof 1,194