Benedito Jose Costa Cabral
AuthID: R-000-2QQ
41
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
42
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
43
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
44
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
Scopus45
TITLE: Quadrupole polarization in simulations of ionic systems: Application to AgCl Full Text
AUTHORS: Wilson, M; Madden, PA; CostaCabral, BJ;
PUBLISHED: 1996, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY, VOLUME: 100, ISSUE: 4
AUTHORS: Wilson, M; Madden, PA; CostaCabral, BJ;
PUBLISHED: 1996, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY, VOLUME: 100, ISSUE: 4
46
TITLE: VAPOR-LIQUID-EQUILIBRIUM AND STRUCTURE OF METHYL-IODIDE LIQUID
AUTHORS: FREITAS, FFM; FERNANDES, FMSS ; CABRAL, BJC;
PUBLISHED: 1995, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY, VOLUME: 99, ISSUE: 14
AUTHORS: FREITAS, FFM; FERNANDES, FMSS ; CABRAL, BJC;
PUBLISHED: 1995, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY, VOLUME: 99, ISSUE: 14
INDEXED IN: Scopus 
WOS
Scopus WOS47
TITLE: Dynamics and structure of molten CsAu
AUTHORS: Cabral, BJC; Fernandes, FMSS;
PUBLISHED: 1995, SOURCE: 1st European Conference on Computational Chemistry in E.C.C.C. 1 COMPUTATIONAL CHEMISTRY: F.E.C.S. CONFERENCE, VOLUME: 330
AUTHORS: Cabral, BJC; Fernandes, FMSS;
PUBLISHED: 1995, SOURCE: 1st European Conference on Computational Chemistry in E.C.C.C. 1 COMPUTATIONAL CHEMISTRY: F.E.C.S. CONFERENCE, VOLUME: 330
INDEXED IN: WOS
WOS48
TITLE: Dynamics of liquid CH3I
AUTHORS: Freitas, FFM; Cabral, BJC; Fernandes, FMSS;
PUBLISHED: 1995, SOURCE: 1st European Conference on Computational Chemistry in E.C.C.C. 1 COMPUTATIONAL CHEMISTRY: F.E.C.S. CONFERENCE, VOLUME: 330
AUTHORS: Freitas, FFM; Cabral, BJC; Fernandes, FMSS;
PUBLISHED: 1995, SOURCE: 1st European Conference on Computational Chemistry in E.C.C.C. 1 COMPUTATIONAL CHEMISTRY: F.E.C.S. CONFERENCE, VOLUME: 330
INDEXED IN: WOS
WOS49
TITLE: First principles molecular dynamics simulation of liquid rubidium Full Text
AUTHORS: Benedito José Costa Cabral; José Luís Martins;
PUBLISHED: 1995, SOURCE: Journal of Molecular Structure: THEOCHEM, VOLUME: 330, ISSUE: 1-3
AUTHORS: Benedito José Costa Cabral; José Luís Martins;
PUBLISHED: 1995, SOURCE: Journal of Molecular Structure: THEOCHEM, VOLUME: 330, ISSUE: 1-3
50
TITLE: First-principles molecular dynamics of liquid cesium and rubidium
AUTHORS: Benedito José Costa Cabral; José Luís Martins;
PUBLISHED: 1995, SOURCE: Phys. Rev. B - Physical Review B, VOLUME: 51, ISSUE: 2
AUTHORS: Benedito José Costa Cabral; José Luís Martins;
PUBLISHED: 1995, SOURCE: Phys. Rev. B - Physical Review B, VOLUME: 51, ISSUE: 2
