The electronic spectra of 2-(2′-hydroxybenzoyl)pyrrole and 2-(2′-methoxybenzoyl)pyrrole: A theoretical study

Journal of Physical Organic Chemistry

Volumn 18, Issue 11, 2005, Pages 1099-1106

  Ghigo, Giovanni ^a   Ciofalo, Maurizio ^b   Gag liardi, Laura ^b   La Manna, Gianfranco ^b   Cramer, Christopher J ^c  

^a UNIVERSITY OF TURIN   (Italy)

^b UNIVERSITY OF PALERMO   (Italy)

^c UNIVERSITY OF MINNESOTA   (United States)

Author keywords

Benzoylpyrrole; CASPT2; CIS INDO S2; Electronic spectra; Solvatochromic shift; VEM

Indexed keywords

ELECTROSTATICS; HAMILTONIANS; MATHEMATICAL MODELS; SUBSTITUTION REACTIONS;

CASPT2; CIS/INDO/S2; SOLVATOCHROMIC SHIFT;

AROMATIC COMPOUNDS;

EID: 27144465445     PISSN: 08943230     EISSN: None     Source Type: Journal    
DOI: 10.1002/poc.972     Document Type: Article

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