José Artur de Sousa Martinho Simões
AuthID: R-000-83P
31
TITLE: Energetics of intramolecular hydrogen bonding in di-substituted benzenes by the ortho-para method
AUTHORS: Estacio, SG ; do Couto, PC; Cabral, BJC ; da Piedade, MEM ; Simoes, JAM;
PUBLISHED: 2004, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 108, ISSUE: 49
AUTHORS: Estacio, SG ; do Couto, PC; Cabral, BJC ; da Piedade, MEM ; Simoes, JAM;
PUBLISHED: 2004, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 108, ISSUE: 49
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ORCID | ResearcherID32
TITLE: Gas-phase energetics of organic free radicals using time-resolved photoacoustic calorimetry Full Text
AUTHORS: Correia, CF; Nunes, PM; dos Santos, RMB ; Simoes, JAM;
PUBLISHED: 2004, SOURCE: 6th Mediterranean Conference on Calorimetry and Thermal Analysis in THERMOCHIMICA ACTA, VOLUME: 420, ISSUE: 1-2
AUTHORS: Correia, CF; Nunes, PM; dos Santos, RMB ; Simoes, JAM;
PUBLISHED: 2004, SOURCE: 6th Mediterranean Conference on Calorimetry and Thermal Analysis in THERMOCHIMICA ACTA, VOLUME: 420, ISSUE: 1-2
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ORCID | ResearcherID33
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: Estacio, SG ; do Couto, PC; Guedes, RC ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2004, SOURCE: 11th International Congress of Quantum Chemistry in THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 112, ISSUE: 4
AUTHORS: Estacio, SG ; do Couto, PC; Guedes, RC ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2004, SOURCE: 11th International Congress of Quantum Chemistry in THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 112, ISSUE: 4
INDEXED IN: Scopus WOS
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TITLE: Reaction of para-hydroxy-substituted diphenylmethanes with tert-butoxy radical Full Text
AUTHORS: Correia, CF; dos Santos, RMB ; Estacio, SG ; Telo, JP ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2004, SOURCE: CHEMPHYSCHEM, VOLUME: 5, ISSUE: 8
AUTHORS: Correia, CF; dos Santos, RMB ; Estacio, SG ; Telo, JP ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2004, SOURCE: CHEMPHYSCHEM, VOLUME: 5, ISSUE: 8
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TITLE: O-H bond dissociation enthalpies in hydroxyphenols. A time-resolved photoacoustic calorimetry and quantum chemistry study Full Text
AUTHORS: Correia, CF; Guedes, RC ; dos Santos, RMB ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2004, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 6, ISSUE: 9
AUTHORS: Correia, CF; Guedes, RC ; dos Santos, RMB ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2004, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 6, ISSUE: 9
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ORCID | ResearcherID36
TITLE: Energetics of alkylbenzyl radicals: A time-resolved photoacoustic calorimetry study
AUTHORS: Muralha, VSF ; dos Santos, RMB ; Simoes, JAM;
PUBLISHED: 2004, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 108, ISSUE: 6
AUTHORS: Muralha, VSF ; dos Santos, RMB ; Simoes, JAM;
PUBLISHED: 2004, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 108, ISSUE: 6
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ORCID | ResearcherID37
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
38
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
39
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
40
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
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