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The Journal of Physical Chemistry. B|February 14, 2006
Molecular dynamics simulations of the effect of the composition of calcium alumino-silicate intergranular films on alumina grain growthShenghong Zhang, Stephen H GarofaliniThe Journal of Chemical Physics|April 20, 2005
Application of the Wolf damped Coulomb method to simulations of SiCY Ma, S H GarofaliniPhysical Chemistry Chemical Physics : PCCP|October 1, 2020
Formation and migration of H<sub>3</sub>O<sup>+</sup> and OH<sup>-</sup> ions at the water/silica and water/vapor interfaces under the influence of a static electric field: a molecular dynamics studyJesse Lentz, Stephen H GarofaliniThe Journal of Chemical Physics|March 5, 2008
Molecular dynamics simulations of beta-SiC using both fixed charge and variable charge modelsYing Ma, S H GarofaliniPhysical Chemistry Chemical Physics : PCCP|May 30, 2019
Role of the hydrogen bond lifetimes and rotations at the water/amorphous silica interface on proton transportJesse Lentz, Stephen H GarofaliniThe Journal of Physical Chemistry. B|April 10, 2023
Subpicosecond Molecular Rearrangements Affect Local Electric Fields and Auto-Dissociation in WaterStephen H Garofalini, Jesse LentzPhysical Chemistry Chemical Physics : PCCP|June 7, 2018
Structural aspects of the topological model of the hydrogen bond in water on auto-dissociation via proton transferJesse Lentz, Stephen H GarofaliniThe Journal of Chemical Physics|July 11, 2006
Iterative fluctuation charge model: a new variable charge molecular dynamics methodYing Ma, Stephen H GarofaliniJournal of the American Chemical Society|May 2, 2012
Atomistic insights into the conversion reaction in iron fluoride: a dynamically adaptive force field approachYing Ma, Stephen H GarofaliniPhysical Chemistry Chemical Physics : PCCP|May 10, 2014
Interplay between the ionic and electronic transport and its effects on the reaction pattern during the electrochemical conversion in an FeF2 nanoparticleYing Ma, Stephen H GarofaliniPageof 135,365