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Multiconfiguration Pair-Density Functional Theory Predicts Spin-State Ordering in Iron Complexes with the Same

Liam Wilbraham1, Pragya Verma2, Donald G Truhlar2

  • 1PSL Research University , Institut de Recherche de Chimie Paris IRCP, CNRS - Chimie ParisTech, 11 rue Pierre et Marie Curie, F-75005 Paris, France.

The Journal of Physical Chemistry Letters
|April 25, 2017
PubMed

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