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The Journal of Chemical Physics|May 28, 2005
Ab initio molecular dynamics study of glycine intramolecular proton transfer in waterKevin Leung, Susan B RempePhysical Chemistry Chemical Physics : PCCP|June 6, 2006
Ab initio rigid water: effect on water structure, ion hydration, and thermodynamicsKevin Leung, Susan B RempeJournal of the American Chemical Society|January 8, 2004
Ab initio molecular dynamics study of formate ion hydrationKevin Leung, Susan B RempeJournal of Computational and Theoretical Nanoscience|March 12, 2010
Ion Rejection by Nanoporous Membranes in Pressure-Driven Molecular Dynamics SimulationsKevin Leung, Susan B RempePhysical Review Letters|April 12, 2006
Salt permeation and exclusion in hydroxylated and functionalized silica poresKevin Leung, Susan B Rempe, Christian D LorenzThe Journal of Chemical Physics|June 3, 2009
Ab initio molecular dynamics calculations of ion hydration free energiesKevin Leung, Susan B Rempe, O Anatole von LilienfeldJournal of Chemical Theory and Computation|November 25, 2015
First Principles Calculations of Atomic Nickel Redox Potentials and Dimerization Free Energies: A Study of Metal Nanoparticle GrowthDian Jiao, Kevin Leung, Susan B Rempe, et al.Biophysical Journal|November 18, 2010
Multibody effects in ion binding and selectivitySameer Varma, Susan B RempeBiophysical Chemistry|August 1, 2006
Coordination numbers of alkali metal ions in aqueous solutionsSameer Varma, Susan B RempeBiochemistry|June 27, 2012
Combined density functional theory (DFT) and continuum calculations of pKa in carbonic anhydraseDian Jiao, Susan B RempePageof 15