Open AccessPrediction of MD Simulated Self-Diffusion Coefficients in a Diverse Set of Pure Liquids.
Author(s) -
Jeffery A. Greathouse
Publication year - 2021
Publication title -
osti oai (u.s. department of energy office of scientific and technical information)
Language(s) - English
Resource type - Conference proceedings
DOI - 10.2172/1856479
Subject(s) - molecular dynamics , self diffusion , thermodynamics , diffusion , force field (fiction) , compressibility , chemical polarity , enthalpy of vaporization , combining rules , statistical physics , molecule , chemistry , materials science , computational chemistry , physics , enthalpy , mathematics , binary number , organic chemistry , self service , arithmetic , marketing , quantum mechanics , business
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