Benedito Jose Costa Cabral
AuthID: R-000-2QQ
41
TITLE: QM/MM Approaches to the Electronic Spectra of Hydrogen-Bonding Systems with Connection to Many-Body Decomposition Schemes
AUTHORS: Ricardo A Mata; Costa Cabral, BJC;
PUBLISHED: 2010, SOURCE: ADVANCES IN QUANTUM CHEMISTRY, VOL 59: COMBINING QUANTUM MECHANICS AND MOLECULAR MECHANICS - SOME RECENT PROGRESSES IN QM/MM METHODS, VOLUME: 59
AUTHORS: Ricardo A Mata; Costa Cabral, BJC;
PUBLISHED: 2010, SOURCE: ADVANCES IN QUANTUM CHEMISTRY, VOL 59: COMBINING QUANTUM MECHANICS AND MOLECULAR MECHANICS - SOME RECENT PROGRESSES IN QM/MM METHODS, VOLUME: 59
42
TITLE: Introduction Full Text
AUTHORS: Kaline Coutinho; Benedito Costa C Cabral; Rogério Custodio;
PUBLISHED: 2010, SOURCE: Int. J. Quantum Chem. - International Journal of Quantum Chemistry, VOLUME: 111, ISSUE: 7-8
AUTHORS: Kaline Coutinho; Benedito Costa C Cabral; Rogério Custodio;
PUBLISHED: 2010, SOURCE: Int. J. Quantum Chem. - International Journal of Quantum Chemistry, VOLUME: 111, ISSUE: 7-8
43
TITLE: Born–Oppenheimer molecular dynamics of phenol in a water cluster Full Text
AUTHORS: Sílvia Gomes Estácio; B.J Costa Cabral;
PUBLISHED: 2008, SOURCE: Chemical Physics Letters, VOLUME: 456, ISSUE: 4-6
AUTHORS: Sílvia Gomes Estácio; B.J Costa Cabral;
PUBLISHED: 2008, SOURCE: Chemical Physics Letters, VOLUME: 456, ISSUE: 4-6
44
TITLE: Energetics of the allyl group (vol 72, pg 8772, 2007) Full Text
AUTHORS: Agapito, F; Nunes, PM; Cabral, BJC; dos Santos, RMB; Simoes, JAM;
PUBLISHED: 2008, SOURCE: JOURNAL OF ORGANIC CHEMISTRY, VOLUME: 73, ISSUE: 6
AUTHORS: Agapito, F; Nunes, PM; Cabral, BJC; dos Santos, RMB; Simoes, JAM;
PUBLISHED: 2008, SOURCE: JOURNAL OF ORGANIC CHEMISTRY, VOLUME: 73, ISSUE: 6
INDEXED IN: 
WOS
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ORCID
ORCID45
TITLE: Homolytic dissociation in hydrogen-bonding liquids: energetics of the phenol O?H bond in methanol and the water O?H bond in water Full Text
AUTHORS: Est�cio, SG; Cabral do d Couto; Guedes, RC; Costa J C Cabral; Martinho A M Sim�es;
PUBLISHED: 2004, SOURCE: Theor Chem Acc - Theoretical Chemistry Accounts, VOLUME: 112, ISSUE: 4
AUTHORS: Est�cio, SG; Cabral do d Couto; Guedes, RC; Costa J C Cabral; Martinho A M Sim�es;
PUBLISHED: 2004, SOURCE: Theor Chem Acc - Theoretical Chemistry Accounts, VOLUME: 112, ISSUE: 4
46
TITLE: Energetics of Intramolecular Hydrogen Bonding in Di-substituted Benzenes by the ortho−para Method
AUTHORS: Sílvia G Estácio; Cabral do Couto, P; Benedito J Costa Cabral; Manuel E Minas da Piedade; José A Martinho Simões;
PUBLISHED: 2004, SOURCE: J. Phys. Chem. A - The Journal of Physical Chemistry A, VOLUME: 108, ISSUE: 49
AUTHORS: Sílvia G Estácio; Cabral do Couto, P; Benedito J Costa Cabral; Manuel E Minas da Piedade; José A Martinho Simões;
PUBLISHED: 2004, SOURCE: J. Phys. Chem. A - The Journal of Physical Chemistry A, VOLUME: 108, ISSUE: 49
47
TITLE: O?H Bond dissociation enthalpies in hydroxyphenols. A time-resolved photoacoustic calorimetry and quantum chemistry studyElectronic supplementary information (ESI) available: Table S1: Total energies calculated at the MPW1PW91/aug-cc-pVDZ and the CBS-4M levels. Data include zero point energies and thermal corrections to 298 K. See http://www.rsc.org/suppdata/cp/b3/b314093h/ Full Text
AUTHORS: Catarina F Correia; Rita C Guedes; Rui M Borges dos Santos ; Benedito J Costa Cabral; Jos� A Martinho Sim�es;
PUBLISHED: 2004, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 6, ISSUE: 9
AUTHORS: Catarina F Correia; Rita C Guedes; Rui M Borges dos Santos ; Benedito J Costa Cabral; Jos� A Martinho Sim�es;
PUBLISHED: 2004, SOURCE: Phys. Chem. Chem. Phys. - Physical Chemistry Chemical Physics, VOLUME: 6, ISSUE: 9
48
TITLE: Solvent effects on the energetics of the phenol O-H bond: Differential solvation of phenol and phenoxy radical in benzene and acetonitrile
AUTHORS: Guedes, RC ; Coutinho, K; Cabral, BJC; Canuto, S; Correia, CF; dos Santos, RMB ; Simoes, JAM;
PUBLISHED: 2003, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 107, ISSUE: 43
AUTHORS: Guedes, RC ; Coutinho, K; Cabral, BJC; Canuto, S; Correia, CF; dos Santos, RMB ; Simoes, JAM;
PUBLISHED: 2003, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 107, ISSUE: 43
49
TITLE: Structure and conformational equilibrium of thiacalix[4]arene by density functional theory Full Text
AUTHORS: Raul J Bernardino; Benedito J Costa Cabral;
PUBLISHED: 2001, SOURCE: Journal of Molecular Structure: THEOCHEM, VOLUME: 549, ISSUE: 3
AUTHORS: Raul J Bernardino; Benedito J Costa Cabral;
PUBLISHED: 2001, SOURCE: Journal of Molecular Structure: THEOCHEM, VOLUME: 549, ISSUE: 3
50
TITLE: Theoretical calculations of the molecular properties of a CFC substitute: CHCl2CF3 (HCFC-123) Full Text
AUTHORS: Costa Cabral, BJ;
PUBLISHED: 1998, SOURCE: Journal of Molecular Structure: THEOCHEM, VOLUME: 452, ISSUE: 1-3
AUTHORS: Costa Cabral, BJ;
PUBLISHED: 1998, SOURCE: Journal of Molecular Structure: THEOCHEM, VOLUME: 452, ISSUE: 1-3
INDEXED IN: 
Scopus
Scopus