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An updated version of the computational package SIMPRE that uses the standard conventions for Stevens crystal field

José J Baldoví1, Juan M Clemente-Juan, Eugenio Coronado

  • 1Instituto de Ciencia Molecular (ICMol), Universidad de Valencia, C/Catedrático José Beltrán, 2, E-46980, Paterna, Spain.

Journal of Computational Chemistry
|August 5, 2014
PubMed

Keywords:
coordination chemistrycrystal field parameterslanthanoid complexessingle ion magnetssingle-molecule magnets

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