Benedito Jose Costa Cabral


AuthID: R-000-2QQ

Confirmed Publications: 109



81
TITLE: First principles molecular dynamics of a liquid Li-Na alloy  Full Text
AUTHORS: Cabral, BJC ; Martins, JL;
PUBLISHED: 1999, SOURCE: 2nd European Conference on Computational Chemistry (EUCO-CC2) in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 463, ISSUE: 1-2
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
82
TITLE: Homocoordination preference in NaCs and LiNa liquid alloys by first principles molecular dynamics  Full Text
AUTHORS: Cabral, BJC ; Martins, JL;
PUBLISHED: 1999, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 111, ISSUE: 11
INDEXED IN: Scopus WOS
IN MY: ORCID
83
TITLE: Structure, conformational equilibrium, and proton affinity of calix[4]arene by density functional theory
AUTHORS: Bernardino, RJ; Cabral, BJC ;
PUBLISHED: 1999, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 103, ISSUE: 45
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
84
TITLE: Substituent effects on the O-H bond dissociation enthalpies in phenolic compounds: agreements and controversies
AUTHORS: Bizarro, MM; Cabral, BJC ; dos Santos, RMB ; Simoes, JAM;
PUBLISHED: 1999, SOURCE: 15th International Conference on Chemical Thermodynamics in PURE AND APPLIED CHEMISTRY, VOLUME: 71, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
85
TITLE: Experimental and theoretical proton affinity of limonene  Full Text
AUTHORS: Fernandez, MT; Williams, C; Mason, RS; Cabral, BJC ;
PUBLISHED: 1998, SOURCE: JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, VOLUME: 94, ISSUE: 10
INDEXED IN: Scopus WOS
IN MY: ORCID
86
TITLE: Hydrogen bonding and conformational equilibrium in p-tert-butyldihomooxacalix[4] arene  Full Text
AUTHORS: Bernardino, RJ; Cabral, BJC ; Pereira, JLC;
PUBLISHED: 1998, SOURCE: THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, VOLUME: 455, ISSUE: 1
INDEXED IN: Scopus WOS
IN MY: ORCID
87
TITLE: Theoretical calculations of the molecular properties of a CFC substitute: CHCl2CF3 (HCFC-123)  Full Text
AUTHORS: Cabral, BJC ;
PUBLISHED: 1998, SOURCE: THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, VOLUME: 452, ISSUE: 1-3
INDEXED IN: Scopus WOS
IN MY: ORCID
88
TITLE: Ab initio and density functional study of azidoacetone  Full Text
AUTHORS: Catarino, MI ; Cabral, BJC ; Costa, ML ;
PUBLISHED: 1997, SOURCE: THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, VOLUME: 397, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef: 4
IN MY: ORCID
89
TITLE: Condensed-phase effects on the conformational equilibrium of ethylene glycol
AUTHORS: Cabral, BJC ;
PUBLISHED: 1996, SOURCE: International Symposium on Atomic, Molecular, and Condensed Matter Theory and Computational Methods in INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 60, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
90
TITLE: Density-functional and density-functional reaction field calculations of the molecular properties of phenol  Full Text
AUTHORS: Cabral, BJC ; Fonseca, RGB; Simoes, JAM;
PUBLISHED: 1996, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 258, ISSUE: 3-4
INDEXED IN: Scopus WOS
IN MY: ORCID
Page 9 of 11. Total results: 109.

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