Showing results (1-10 of 613) with videos related to
Sort By:
Pageof 62
Journal 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
Electrostatically Embedded Many-Body Expansion for SimulationsErin E Dahlke, Donald G TruhlarThe Journal of Physical Chemistry. B|July 21, 2006
Improved density functionals for waterErin E Dahlke, Donald G TruhlarThe Journal of Physical Chemistry. B|June 15, 2006
Assessment of the pairwise additive approximation and evaluation of many-body terms for water clustersErin E Dahlke, Donald G TruhlarJournal of Chemical Theory and Computation|December 2, 2015
Application of the Electrostatically Embedded Many-Body Expansion to Microsolvation of Ammonia in Water ClustersAnastassia Sorkin, Erin E Dahlke, Donald G TruhlarThe Journal of Physical Chemistry. B|February 6, 2008
Assessment of multicoefficient correlation methods, second-order Møller-Plesset perturbation theory, and density functional theory for H3O(+)(H2O)n (n = 1-5) and OH(-)(H2O)n (n = 1-4)Erin E Dahlke, Michelle A Orthmeyer, Donald G TruhlarJournal of Chemical Theory and Computation|December 2, 2015
Evaluation of the Electrostatically Embedded Many-Body Expansion and the Electrostatically Embedded Many-Body Expansion of the Correlation Energy by Application to Low-Lying Water HexamersErin E Dahlke, Hannah R Leverentz, Donald G TruhlarThe Journal of Physical Chemistry. A|April 9, 2008
Assessment of the accuracy of density functionals for prediction of relative energies and geometries of low-lying isomers of water hexamersErin E Dahlke, Ryan M Olson, Hannah R Leverentz, et al.Archives of Biochemistry and Biophysics|May 27, 2015
Transition state theory for enzyme kineticsDonald G TruhlarPageof 62