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Updated: Aug 7, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Published on: September 17, 2021

Vibration Frequencies of Mg3Al2Si3O12 Pyrope. An ab initio study with the CRYSTAL code

Fabien Pascale1, Claudio M Zicovich-Wilson, Roberto Orlando

  • 1Laboratoire de Cristallographie et Modélisation des Matériaux Minéraux et Biologiques, Université Henri Poincaré, BP 239, 54506 Vandoeuvre les Nancy Cedex, France.

The Journal of Physical Chemistry. B
|July 21, 2006
PubMed

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