Absorption, resonance, the preresonance Raman study of the 1,3-dicyanomethylene croconate dianion using complete active space self-consistent field and density functional theory methods

Journal of Chemical Physics

Volumn 119, Issue 24, 2003, Pages 12795-12804

  Makowski, M ^a   Pawlikowski, M T ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ELECTRONIC STRUCTURE; EXCITONS; GROUND STATE; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; RAMAN SPECTROSCOPY; RESONANCE;

DICYANOMETHYLENE CROCONATE DIANION; DUSZYNSKI EFFECTS; ELECTRONIC ABSORPTION; FRANCK-CONDON PARAMETERS; LEE-YANG-PARR CORRELATION FUNCTIONAL METHOD; SPACE SELF CONSISTENT FIELD;

ORGANIC COMPOUNDS;

EID: 0942268381     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1626544     Document Type: Article

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