Validation study of meta-GGA functionals and of a model exchange-correlation potential in density functional calculations of EPR parameters

Physical Chemistry Chemical Physics

Volumn 4, Issue 22, 2002, Pages 5467-5474

  Arbuznikov, Alexei V ^a   Kaupp, Martin ^a   Malkin, Vladimir G ^b   Reviakine, Roman ^b   Malkina, Olga L ^b  

^a UNIVERSITY OF WÜRZBURG   (Germany)

^b INSTITUTE OF CHEMISTRY   (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

METAL COMPLEX; RADICAL; TRANSITION ELEMENT;

CHEMICAL INTERACTION; CONFERENCE PAPER; CORRELATION FUNCTION; ELECTRON SPIN RESONANCE; PARAMETER; STATISTICAL ANALYSIS; THEORETICAL MODEL; VALIDATION PROCESS;

EID: 0036435745     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b207171a     Document Type: Article

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