Determination of partial molar volumes from free energy perturbation theory
نویسندگان
چکیده
منابع مشابه
Determination of partial molar volumes from free energy perturbation theory.
Partial molar volume is an important thermodynamic property that gives insights into molecular size and intermolecular interactions in solution. Theoretical frameworks for determining the partial molar volume (V°) of a solvated molecule generally apply Scaled Particle Theory or Kirkwood-Buff theory. With the current abilities to perform long molecular dynamics and Monte Carlo simulations, more ...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2015
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c4cp05304d