Solvent effect on intramolecular hydrogen bonds in push-pull conjugated molecules

International Journal of Quantum Chemistry

Volumn 96, Issue 3, 2004, Pages 273-281

  Bouchy, Alain ^a   Rinaldi, Daniel ^a   Rivail, Jean Louis ^a  

^a NANCY UNIVERSITÉ   (France)

Author keywords

Density functional theory; Intramolecular hydrogen bonds; Push pull conjugated molecules; Solvent effect

Indexed keywords

COMPUTER SIMULATION; GRADIENT METHODS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; PROTONS; SOLVENTS;

DENSITY FUNCTIONAL THEORY; INTRAMOLECULAR HYDROGEN BONDS; INTRAMOLECULAR PROTON; PUSH-PULL CONJUGATED MOLECULE;

HYDROGEN BONDS;

EID: 0347655105     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10569     Document Type: Article

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