Phenol O-H bond dissociation energy in water clusters

International Journal of Quantum Chemistry

Volumn 86, Issue 3, 2002, Pages 297-304

  Cabral do Couto, P ^a,b   Guedes, R C ^a,b   Costa Cabral, B J ^a,b   Martinho Simoes J A ^a  

^a UNIVERSITY OF LISBON   (Portugal)

^b Centro de Fisica da Materia Condensada   (Portugal)

Author keywords

Ab initio; Density functional theory; O H bond energy; Phenol water clusters; Water clusters

Indexed keywords

ELECTRONIC DENSITY OF STATES; HYDROGEN BONDS; PHENOLS; PROBABILITY DENSITY FUNCTION; WATER;

DENSITY FUNCTIONAL THEORY; ELECTRONIC DIFFERENCE DENSITIES; PHENOL-WATER CLUSTERS; WATER CLUSTERS;

DISSOCIATION;

EID: 0037137937     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.1110     Document Type: Article

References (27)