Reparametrization approach of DFT functionals based on the equilibrium temperature of spin-crossover compounds

Journal of Physical Chemistry A

Volumn 118, Issue 39, 2014, Pages 9005-9012

  Slimani, Ahmed ^a   Yu, Xuefang ^a   Muraoka, Azusa ^b   Boukheddaden, Kamel ^c   Yamashita, Koichi ^a  

^a UNIVERSITY OF TOKYO   (Japan)

^b MEIJI UNIVERSITY   (Japan)

^c LABORATOIRE DES SCIENCES DU CLIMAT ET DE L ENVIRONNEMENT   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EQUILIBRIUM TEMPERATURES; FUNCTIONALS; REPARAMETRIZATION; SPIN-CROSSOVER COMPOUNDS;

EID: 84907801827     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp501943h     Document Type: Article

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