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Updated: Jul 18, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Exploring the effect of anharmonicity of molecular vibrations on thermodynamic properties

Bosiljka Njegic1, Mark S Gordon

  • 1Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA.

The Journal of Chemical Physics
|December 21, 2006
PubMed

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