41
TITLE: Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solution
AUTHORS: Guedes, RC ; Coutinho, K; Cabral, BJC ; Canuto, S;
PUBLISHED: 2003, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 107, ISSUE: 18
INDEXED IN: Scopus WOS CrossRef
42
TITLE: Electronic polarization of liquid water: converged Monte Carlo-quantum mechanics results for the multipole moments  Full Text
AUTHORS: Coutinho, K; Guedes, RC ; Cabral, BJC ; Canuto, S;
PUBLISHED: 2003, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 369, ISSUE: 3-4
INDEXED IN: Scopus WOS CrossRef
44
TITLE: The hydration of the OH radical: Microsolvation modeling and statistical mechanics simulation  Full Text
AUTHORS: do Couto, PC; Guedes, RC ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2003, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 119, ISSUE: 14
INDEXED IN: Scopus WOS CrossRef
45
TITLE: Energetics of the C-Cl bond in CH3CH(Cl)COOH. Enthalpy of formation of (S)-(-)-2-chloropropionic acid and of the 1-carboxyethyl radical
AUTHORS: Lagoa, ALC; Diogo, HP ; da Piedade, MEM ; Luísa M.P.F: Amaral ; Guedes, RC ; Cabral, BJC ; Kulikov, DV; Verevkin, SP; Siedler, M; Epple, M;
PUBLISHED: 2002, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 106, ISSUE: 42
INDEXED IN: Scopus WOS CrossRef
46
TITLE: Phenol O-H bond dissociation energy in water clusters  Full Text
AUTHORS: Do Couto, PC; Guedes, RC ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2002, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 86, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef
47
49
TITLE: Hydrogen bonding and the dipole moment of hydrofluorocarbons by density functional theory  Full Text
AUTHORS: Cabral, BJC ; Guedes, RC ; Pai Panandiker, RS; de Castro, CAN ;
PUBLISHED: 2001, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 3, ISSUE: 19
INDEXED IN: Scopus WOS CrossRef
50
TITLE: Thermochemical properties and structure of phenol-(H2O)(1-6) and phenoxy-(H2O)(1-4) by density functional theory
AUTHORS: Guedes, RC ; Cabral, BJC ; Simoes, JAM; Diogo, HP ;
PUBLISHED: 2000, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 104, ISSUE: 25
INDEXED IN: Scopus WOS CrossRef
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