Solvent effects on the structure and dipole moment of resorcinol

Journal of Molecular Structure: THEOCHEM

Volumn 674, Issue 1-3, 2004, Pages 7-14

  Rudyk, R ^a   Molina, M A A ^a   Gomez M I ^a   Blanco, S E ^b   Ferretti, F H ^b  

^a UNIVERSIDAD NACIONAL DE TUCUMÁN   (Argentina)

^b UNIVERSIDAD NACIONAL DE SAN LUIS   (Argentina)

Author keywords

Ab initio and DFT calculations; Association complexes; Conformations; Dipole moment; Resorcinol

Indexed keywords

ALCOHOL; METHANOL; RESORCINOL; SOLVENT; WATER;

AB INITIO CALCULATION; AQUEOUS SOLUTION; ARTICLE; CALCULATION; COMPLEX FORMATION; CONFORMATION; DENSITY FUNCTIONAL THEORY; DIELECTRIC CONSTANT; DIPOLE; ENERGY; EQUILIBRIUM CONSTANT; HYDROGEN BOND; MATHEMATICAL ANALYSIS; MOLECULAR INTERACTION; STRUCTURE ANALYSIS; THEORETICAL STUDY;

EID: 1942436719     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.12.019     Document Type: Article

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