On the ground state Tg ⊗ εg (Tg = 2T2g, 3T1g) Jahn-Teller-coupling in hexacyano complexes of 3d-transition metals

Journal of Molecular Structure

Volumn 838, Issue 1-3, 2007, Pages 157-163

  Atanasov, Mihail ^a,b   Comba, Peter ^b  

^a INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Bulgaria)

^b UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

Cyanide complexes; Density functional theory; Electronic structure; Jahn Teller coupling; Molecular structure

Indexed keywords

COMPLEXATION; CYANIDES; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MOLECULAR STRUCTURE; PARAMETER ESTIMATION; TRANSITION METALS;

CYANIDE COMPLEXES; JAHN TELLER COUPLING; OCTAHEDRAL CYANO COMPLEXES; VIBRONIC COUPLING PARAMETERS;

GROUND STATE;

EID: 34249310977     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.12.052     Document Type: Article

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