CASSCF study of the relation between the Fe charge and the Mössbauer isomer shift

Chemical Physics Letters

Volumn 454, Issue 4-6, 2008, Pages 196-200

  Sadoc, Aymeric ^a   Broer, Ria ^a   de Graaf, Coen ^b  

^a UNIVERSITY OF GRONINGEN   (Netherlands)

^b UNIVERSITAT ROVIRA I VIRGILI   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BOND STRENGTH (CHEMICAL); CHEMICAL SHIFT; ISOMERS; MOLECULAR ORBITALS; MOSSBAUER SPECTROSCOPY; WAVE FUNCTIONS;

ISOMER SHIFT; LOCALIZED ORBITALS; MULTICONFIGURATIONAL WAVE FUNCTIONS; VALENCE BOND;

METAL COMPLEXES;

EID: 40849135983     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.02.034     Document Type: Article

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