Solvent effects in electronically excited states using the continuum solvation model COSMO in combination with multireference configuration interaction with singles and doubles (MR-CISD)

Theoretical Chemistry Accounts

Volumn 111, Issue 2-6, 2004, Pages 78-89

  Andrade Do Monte, Silmar ^a   Müller, Thomas ^b   Dallos, Michal ^a   Lischka, Hans ^a   Diedenhofen, Michael ^c   Klamt, Andreas ^c  

^a UNIVERSITY OF VIENNA   (Austria)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

^c COSMOlogic GmbH and Co KG ^*  (Germany)

Author keywords

Multireference CI; n * and * states; Polar and apolar solvents; Solvatochromic effects

Indexed keywords

ACROLEIN; FORMALDEHYDE; PYRAZINE;

ARTICLE; CALCULATION; CHEMICAL INTERACTION; DIELECTRIC CONSTANT; ELECTRONICS; MOLECULAR PHYSICS; REACTION ANALYSIS; SOLVATION; THEORETICAL MODEL; THEORETICAL STUDY;

EID: 84962343736     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0530-7     Document Type: Article

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