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Updated: Jun 20, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

A thermal self-consistent field theory for the calculation of molecular vibrational partition functions

Tapta Kanchan Roy1, M Durga Prasad

  • 1School of Chemistry, University of Hyderabad, Hyderabad 500 046, India.

The Journal of Chemical Physics
|September 26, 2009
PubMed

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