CASSCF calculations of triplet state properties: Applications to benzene derivatives

Molecular Physics

Volumn 101, Issue 13, 2003, Pages 2103-2114

  Rubio Pons, O ^a   Loboda, O ^a   Minaev, B ^a   Schimmelpfennig, B ^a   Vahtras, O ^a   AGREN H ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; DERIVATIVES; LIGHT POLARIZATION; LUMINESCENCE; MOLECULES; PHOSPHORESCENCE; PHOSPHORS;

COMPLETE ACTIVE SPACE SELF CONSISTENT FIELD METHOD; NUCLEAR QUADRUPOLE COUPLING CONSTANTS; TRIPLET STATE PROPERTIES; ZERO FIELD SPLITTING PARAMETERS;

BENZENE;

EID: 1542287348     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/0026897031000109248     Document Type: Article

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