José Artur de Sousa Martinho Simões
AuthID: R-000-83P
41
TITLE: The hydration of the OH radical: Microsolvation modeling and statistical mechanics simulation Full Text
AUTHORS: do Couto, PC; Guedes, RC ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2003, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 119, ISSUE: 14
AUTHORS: do Couto, PC; Guedes, RC ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2003, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 119, ISSUE: 14
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ORCID | ResearcherID42
TITLE: S-H bond dissociation enthalpies in thiophenols: A time-resolved photoacoustic calorimetry and quantum chemistry study
AUTHORS: dos Santos, RMB ; Muralha, VSF ; Correia, CF; Guedes, RC ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2002, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 106, ISSUE: 42
AUTHORS: dos Santos, RMB ; Muralha, VSF ; Correia, CF; Guedes, RC ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2002, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 106, ISSUE: 42
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ORCID | ResearcherID43
TITLE: Phenol O-H bond dissociation energy in water clusters Full Text
AUTHORS: Do Couto, PC; Guedes, RC ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2002, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 86, ISSUE: 3
AUTHORS: Do Couto, PC; Guedes, RC ; Cabral, BJC ; Simoes, JAM;
PUBLISHED: 2002, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 86, ISSUE: 3
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ORCID | ResearcherID44
TITLE: Solvation enthalpies of free radicals: O-O bond strength in di-tert-butylperoxide Full Text
AUTHORS: dos Santos, RMB ; Muralha, VSF ; Correia, CF; Simoes, JAM;
PUBLISHED: 2001, SOURCE: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 123, ISSUE: 50
AUTHORS: dos Santos, RMB ; Muralha, VSF ; Correia, CF; Simoes, JAM;
PUBLISHED: 2001, SOURCE: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 123, ISSUE: 50
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ORCID | ResearcherID45
TITLE: Organometallic thermochemistry at CQE-IST. An overview Full Text
AUTHORS: Diogo, HP ; da Piedade, MEM ; Simoes, JAM; Teixeira, C;
PUBLISHED: 2001, SOURCE: JOURNAL OF ORGANOMETALLIC CHEMISTRY, VOLUME: 632, ISSUE: 1-2
AUTHORS: Diogo, HP ; da Piedade, MEM ; Simoes, JAM; Teixeira, C;
PUBLISHED: 2001, SOURCE: JOURNAL OF ORGANOMETALLIC CHEMISTRY, VOLUME: 632, ISSUE: 1-2
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ORCID | ResearcherID46
TITLE: Standard enthalpies of formation of 2,6-di-tert-butyl-4-methylphenol and 3,5-di-tert-butylphenol and their phenoxy radicals Full Text
AUTHORS: da Silva, MAVR ; Matos, MAR ; Miranda, MS ; Sousa, MHFA; dos Santos, RMB ; Bizarro, MM; Simoes, JAM;
PUBLISHED: 2001, SOURCE: STRUCTURAL CHEMISTRY, VOLUME: 12, ISSUE: 2
AUTHORS: da Silva, MAVR ; Matos, MAR ; Miranda, MS ; Sousa, MHFA; dos Santos, RMB ; Bizarro, MM; Simoes, JAM;
PUBLISHED: 2001, SOURCE: STRUCTURAL CHEMISTRY, VOLUME: 12, ISSUE: 2
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ORCID | ResearcherID47
TITLE: Energetics of C-Cl, C-Br, and C-I bonds in haloacetic acids: Enthalpies of formation of XCH2COOH (X = Cl, Br, I) compounds and the carboxymethyl radical Full Text
AUTHORS: Lagoa, ALC; Diogo, HP ; Dias, MP; de Piedade, MEM ; Luísa M.P.F: Amaral ; da Silva, MAVR ; Simoes, JAM; Guedes, RC ; Cabral, BJC ; Schwarz, K; Epple, M;
PUBLISHED: 2001, SOURCE: CHEMISTRY-A EUROPEAN JOURNAL, VOLUME: 7, ISSUE: 2
AUTHORS: Lagoa, ALC; Diogo, HP ; Dias, MP; de Piedade, MEM ; Luísa M.P.F: Amaral ; da Silva, MAVR ; Simoes, JAM; Guedes, RC ; Cabral, BJC ; Schwarz, K; Epple, M;
PUBLISHED: 2001, SOURCE: CHEMISTRY-A EUROPEAN JOURNAL, VOLUME: 7, ISSUE: 2
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ORCID | ResearcherID48
TITLE: Cooperation among chemical societies: a European perspective Full Text
AUTHORS: Koch, W; Simoes, JAM; Simanek, V; Oro, LA; Bertini, I; Laane, C; Thonus, I;
PUBLISHED: 2000, SOURCE: NACHRICHTEN AUS DER CHEMIE, VOLUME: 48, ISSUE: 9
AUTHORS: Koch, W; Simoes, JAM; Simanek, V; Oro, LA; Bertini, I; Laane, C; Thonus, I;
PUBLISHED: 2000, SOURCE: NACHRICHTEN AUS DER CHEMIE, VOLUME: 48, ISSUE: 9
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ORCID | ResearcherID49
TITLE: Thermochemical properties and structure of phenol-(H2O)(1-6) and phenoxy-(H2O)(1-4) by density functional theory
AUTHORS: Guedes, RC ; Cabral, BJC ; Simoes, JAM; Diogo, HP ;
PUBLISHED: 2000, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 104, ISSUE: 25
AUTHORS: Guedes, RC ; Cabral, BJC ; Simoes, JAM; Diogo, HP ;
PUBLISHED: 2000, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 104, ISSUE: 25
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ORCID | ResearcherID50
TITLE: Foreword Full Text
AUTHORS: Simoes, JAM;
PUBLISHED: 1999, SOURCE: JOURNAL OF CHEMICAL THERMODYNAMICS, VOLUME: 31, ISSUE: 11
AUTHORS: Simoes, JAM;
PUBLISHED: 1999, SOURCE: JOURNAL OF CHEMICAL THERMODYNAMICS, VOLUME: 31, ISSUE: 11
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