DFT calculations on the Spin-crossover complex fe(salen)(NO): A quest for the best functional

Journal of Physical Chemistry B

Volumn 111, Issue 44, 2007, Pages 12621-12624

  Conradie, Jeanet ^a,b   Ghosh, Abhik ^a  

^a UNIVERSITY OF TROMSØ   (Norway)

^b UNIVERSITY OF THE FREE STATE   (South Africa)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; DISCRETE FOURIER TRANSFORMS; FUNCTIONAL ANALYSIS;

DIFFERENT EXCHANGE-CORRELATION FUNCTIONALS; HARTREE-FOCK EXCHANGE; HYBRID FUNCTIONAL; SPIN DENSITY PROFILES;

IRON;

EID: 36248940205     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp074480t     Document Type: Article

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