José Artur de Sousa Martinho Simões
AuthID: R-000-83P
21
TITLE: Substituent effects on water-assisted proton transfer in [p-XC6H4OH-(H2O)(1-3)](.+) clusters Full Text
AUTHORS: Hugo F M C Martiniano; Benedito J C Costa Cabral ; Jose A Martinho Simoes;
PUBLISHED: 2007, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 442, ISSUE: 4-6
AUTHORS: Hugo F M C Martiniano; Benedito J C Costa Cabral ; Jose A Martinho Simoes;
PUBLISHED: 2007, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 442, ISSUE: 4-6
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TITLE: A cost-effective basis-set extrapolation scheme: Application to the energetics of homolytic bond dissociation Full Text
AUTHORS: Fillpe Agapito ; Benedito Costa C Cabral ; Jos Martinho M Simoes;
PUBLISHED: 2007, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 811, ISSUE: 1-3
AUTHORS: Fillpe Agapito ; Benedito Costa C Cabral ; Jos Martinho M Simoes;
PUBLISHED: 2007, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 811, ISSUE: 1-3
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TITLE: Time-resolved photoacoustic calorimetry as a tool to determine rate constants of hydrogen-abstraction reactions Full Text
AUTHORS: Nunes, PM; Correia, CF; Dos Santos, RMB ; Simoes, JAM;
PUBLISHED: 2006, SOURCE: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, VOLUME: 38, ISSUE: 6
AUTHORS: Nunes, PM; Correia, CF; Dos Santos, RMB ; Simoes, JAM;
PUBLISHED: 2006, SOURCE: INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, VOLUME: 38, ISSUE: 6
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TITLE: Enthalpy of formation of the cyclopentadienyl radical: Photoacoustic calorimetry and ab initio studies
AUTHORS: Nunes, PM; Agapito, F ; Cabral, BJC ; dos Santos, RMB ; Simoes, JAM;
PUBLISHED: 2006, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 110, ISSUE: 15
AUTHORS: Nunes, PM; Agapito, F ; Cabral, BJC ; dos Santos, RMB ; Simoes, JAM;
PUBLISHED: 2006, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 110, ISSUE: 15
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TITLE: S-H bond dissociation enthalpies: The importance of a complete basis set approach Full Text
AUTHORS: do Couto, PC; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2006, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 421, ISSUE: 4-6
AUTHORS: do Couto, PC; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2006, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 421, ISSUE: 4-6
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TITLE: The enthalpy of formation of the pentane-2,4-dionate radical: A complete basis set approach Full Text
AUTHORS: do Couto, PC; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2006, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 419, ISSUE: 4-6
AUTHORS: do Couto, PC; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2006, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 419, ISSUE: 4-6
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TITLE: Antioxidant activity of a catechol derived from abietic acid Full Text
AUTHORS: Justino, GC; Correia, CF; Mira, L; Dos Santos, RMB ; Simoes, JAM; Silva, AM; Santos, C; Gigante, B;
PUBLISHED: 2006, SOURCE: JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, VOLUME: 54, ISSUE: 2
AUTHORS: Justino, GC; Correia, CF; Mira, L; Dos Santos, RMB ; Simoes, JAM; Silva, AM; Santos, C; Gigante, B;
PUBLISHED: 2006, SOURCE: JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, VOLUME: 54, ISSUE: 2
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TITLE: Energetics of hydroxybenzoic acids and of the corresponding carboxyphenoxyl radicals. Intramolecular hydrogen bonding in 2-hydroxybenzoic acid
AUTHORS: Pinto, SS; Diogo, HP ; Guedes, RC ; Cabral, BJC ; da Piedade, MEM ; Simoes, JAM;
PUBLISHED: 2005, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 109, ISSUE: 42
AUTHORS: Pinto, SS; Diogo, HP ; Guedes, RC ; Cabral, BJC ; da Piedade, MEM ; Simoes, JAM;
PUBLISHED: 2005, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 109, ISSUE: 42
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TITLE: Oxygen-oxygen bond dissociation enthalpies of di-tert-butyl peroxide and di-trifluoromethyl peroxide Full Text
AUTHORS: Agapito, F ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2005, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 729, ISSUE: 3
AUTHORS: Agapito, F ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2005, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 729, ISSUE: 3
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TITLE: Carbon-hydrogen bond dissociation enthalpies in ethers: a theoretical study Full Text
AUTHORS: Agapito, F ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2005, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 719, ISSUE: 1-3
AUTHORS: Agapito, F ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2005, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 719, ISSUE: 1-3
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