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Evaluation of osmotic virial coefficients via restricted Gibbs ensemble simulations, with support from gas-phase mixture coefficients

A Bansal, AJ Schultz, DA Kofke - The Journal of Physical …, 2021 - ACS Publications
We present a method for computing osmotic virial coefficients in explicit solvent via
simulation in a restricted Gibbs ensemble. Two equivalent phases are simulated at once …
Запазване Позоваване С позовавания в 2 Сродни статии Всички 4 версии

Methods to Evaluate Virial Coefficients from Molecular Models

A Bansal - 2022 - search.proquest.com
METHODS TO EVALUATE VIRIAL COEFFICIENTS FROM MOLECULAR MODELS by Arpit
Bansal 31 August 2022 A dissertation submitted to the Fac Page 1 METHODS TO EVALUATE …
Запазване Позоваване Сродни статии