BIBLIOS

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Publications for jamsimoes (57)

2019
Influence of preparation procedures on the phenolic content, antioxidant and antidiabetic activities of green and black teas (2019)
Tânia Santos de Almeida et al., with 7 authors including:
Maria Eduarda Machado Araújo
José Artur Martinho Simões
Journal articles
2017
Guia do Laboratório de Química e Bioquímica (3ª Edição) (2017)
J. A. Martinho Simões et al., with 7 authors including:
J. A. Martinho Simões
M. A. R. Botas Castanho
I. M. S. Lampreia
F. J. V. Santos
C. A. Nieto de Castro
M. T. Pamplona
Manuel Minas da Piedade
Books
2015
Benchmark Thermodynamic Properties of Methylanisoles: Experimental and Theoretical Study (2015)
V. N. Emel ´yanenko
K. V. Zaitseva
F. Agapito
J. A. Martinho Simões
S. P. Verevkin
Journal articles
2015
The Thermochemistry of Cubane 50 Years After Its Synthesis: A High-Level Theoretical Study of Cubane and Its Derivatives (2015)
F. Agapito
R. C. Santos
R. M. Borges dos Santos
J. A. Martinho Simões
Journal articles
2014
Enthalpies of Formation of Dihydroxybenzenes Revisited: Combining Experimental and High-Level ab initio Data (2014)
E. M. Gonçalves
F. Agapito
T. S. Almeida
J. A. Martinho Simões
Journal articles
2013
ThermInfo: Collecting, Retrieving, and Estimating Reliable Thermochemical Data Technical Report. (2013)
Ana L. Teixeira
Rui C. Santos
João P. Leal
José A. Martinho Simões
Andre O. Falcao
Other
2013
Energetics of H-Atom Addition to Naphthalene: A Thermochemical Cycle from Tetralin to Naphthalene (2013)
R. C. Santos
F. Agapito
E. M. Gonçalves
J. A. Martinho Simões
R. M. Borges dos Santos
Journal articles
2013
Thermodynamically Sick Molecules: Searching for Defective Experimental Enthalpies of Formation Values Using Empirical and Quantum Chemistry Methods (2013)
R. C. Santos
T. S. Almeida
F. Agapito
R. M. Borges dos Santos
J. A. Martinho Simões
Journal articles
2013
Energetics of Non-Bonded Ortho Interactions in Alkylbenzenes (2013)
F. Agapito
R. C. Santos
J. A. Martinho Simões
Journal articles
2013
Thermodynamic characterization of hydroxyphenols (2013)
M. Gonçalves
F. Agapito
T. S. Almeida
J. A. Martinho Simões
Conference papers
2013
Energetics of nonbonded ortho interactions in alkylbenzenes (2013)
R. C. Santos
F. Agapito
J. A. Martinho Simões
Conference papers
2013
Dinâmica molecular ab initio:aplicações ao estudo de propriedades electrónicas de sistemas moleculares (2013)
Hugo Filipe de Mesquita Costa Martiniano
Cabral, Benedito José Costa
Simões, José Artur Martinho
Academic documents
2011
Size Matters? (2011)
J. A. Martinho Simões
F. J. V. Santos
Other
2010
The alpha-C–H BDE in tetralin (2010)
Borges dos Santos RM
Nunes PM
Martinho Simões JA.
Journal articles
2010
Theoretical Study of the Reactivity and Energetics of Organic Radicals (2010)
Agapito, Filipe Miguel Peres
Cabral, Benedito José Costa
Simões, José Artur Martinho
Academic documents
2009
Energetics of tert-Butoxyl Addition Reaction to Norbornadiene: A Method for Estimating the pi-Bond Strength of a Carbon-Carbon Double Bond (2009)
Nunes, Paulo M. et al., with 8 authors including:
Martinho Simoes, Jose A.
Journal articles
2009
Additive Methods for Prediction of Thermochemical Properties, The Laidler Method Revisited: 2 - Hydrocarbons Including Substituted Cyclic Compounds (2009)
R. C. Santos
J. P. Leal
J. A. Martinho Simões
Journal articles
2008
Determination of gas-phase acidities of dimethylphenols: Combined experimental and theoretical study (2008)
Paulo J. Amorim Madeira
Paulo Jorge Costa
Maria Tereza Fernandez
José A. Martinho Simões
João Paulo Leal
Journal articles
2008
Guia do Laboratório de Química e Bioquímica (2ª Edição) (2008)
José A. Martinho Simões et al., with 9 authors including:
José A. Martinho Simões
Miguel A. R. Botas Castanho
Isabel M. S. Lampreia
Fernando J. V. Santos
Carlos A. Nieto de Castro
M. Fátima Norberto
M. Teresa Pamplona
Lurdes Mira
M. Margarida Meireles
Books
2008
Molecular Energetics Condensed-Phase Thermochemical Techniques and Empirical Estimation Methods (2008)
J. A. Martinho Simões
M. E. Minas da Piedade.
Books
2008
Estimation of Enthalpies of Formation of Organometallic Compounds from their Molecular Structures. (2008)
J. Jover
R. Bosquea
J. A. Martinho Simões
J. Sales.
Journal articles
2008
C-H bond dissociation enthalpies in norbornane. An experimental and computational study (2008)
Paulo M. Nunes et al., with 6 authors including:
José A. Martinho Simões
Journal articles
2008
Energetic differences between the five- and six-membered ring hydrocarbons: Strain energies in the parent and radical molecules (2008)
Agapito, Filipe
Nunes, Paulo A.
Costa Cabral, Benedito J.
Borges dos Santos, Rui M.
Martinho Simoes, Jose A.
Journal articles
2007
Bond-dissociation enthalpies in the gas phase and in organic solvents: Making ends meet (2007)
Rui M. Borges dos Santos
Benedito J. Costa Cabral
José A. Martinho Simões
Journal articles
2007
Structure and Bonding in Organometallic Compounds: Organometallic Thermochemistry (2007)
J. A. Martinho Simões
M. E. Minas da Piedade
Book chapters
2007
A cost-effective basis-set extrapolation scheme: Application to the energetics of homolytic bond dissociation (2007)
Filipe Agapito
Benedito J. Costa Cabral
José A. Martinho Simões
Journal articles
2007
Energetics of the allyl group (2007)
Agapito, Filipe
Nunes, Paulo M.
Costa Cabral, Benedito J.
Borges dos Santos, Rui M.
Martinho Simoes, Jose A.
Journal articles
2007
Substituent effects on water-assisted proton transfer in [p-XC6H4OH-(H2O)(1-3)](.+) clusters (2007)
Martiniano, Hugo F. M. C.
Costa Cabral, Benedito J.
Martinho Simoes, Jose A.
Journal articles
2006
The enthalpy of formation of the pentane-2,4-dionate radical: A complete basis set approach (2006)
P. Cabral do Couto
Benedito J. Costa Cabral
José A. Martinho Simões
Journal articles
2006
Enthalpy of formation of the cyclopentadienyl radical: Photoacoustic calorimetry and ab initio studies (2006)
Paulo M. Nunes
Filipe Agapito
Benedito J. Costa Cabral
Rui M. Borges dos Santos
José A. Martinho Simões
Journal articles
2006
S-H bond dissociation enthalpies: The importance of a complete basis set approach (2006)
P. Cabral do Couto
Benedito J. Costa Cabral
José A. Martinho Simões
Journal articles
2006
Antioxidant Activity of a Catechol Derived from Abietic Acid (2006)
Gonçalo C. Justino et al., with 8 authors including:
Lurdes Mira
José A. Martinho Simões
Journal articles
2006
Time-resolved Photoacoustic Calorimetry as a Tool to Determine Rate Constants of Hydrogen Abstraction Reactions. (2006)
P. M. Nunes
C. F. Correia
R. M. Borges dos Santos
J. A. Martinho Simões.
Journal articles
2005
Energetics of hydroxybenzoic acids and of the corresponding carboxyphenoxyl radicals. Intramolecular hydrogen bonding in 2-hydroxybenzoic acid (2005)
Susana S. Pinto et al., with 6 authors including:
José A. Martinho Simões
Journal articles
2005
Carbon–hydrogen bond dissociation enthalpies in ethers: a theoretical study (2005)
Filipe Agapito
Benedito J. Costa Cabral
José A. Martinho Simões
Journal articles
2005
Oxygen-oxygen bond dissociation enthalpies of di-tert-butyl peroxide and di-trifluoromethyl peroxide (2005)
Filipe Agapito
Benedito J. Costa Cabral
José A. Martinho Simões
Journal articles
2004
O-H bond dissociation enthalpies in hydroxyphenols. A time-resolved photoacoustic calorimetry and quantum chemistry study (2004)
Catarina F. Correia
Rita C. Guedes
Rui M. Borges dos Santos
Benedito J. Costa Cabral
José A. Martinho Simões
Journal articles
2004
Energetics of Arylbenzyl Radicals: A Time-Resolved Photoacoustic Calorimetry Study. (2004)
V. S. F. Muralha
R. M. Borges dos Santos
J. A. Martinho Simões
Journal articles
2004
Gas-Phase Energetics of Organic Free Radicals using Time-Resolved Photoacoustic Calorimetry. (2004)
C. F. Correia
P. M. Nunes
R. M. Borges dos Santos
J. A. Martinho Simões.
Journal articles
2004
Homolytic Dissociation in Hydrogen Bonding Liquids: Energetics of the Phenol O-H Bond in Methanol and the Water O-H Bond in Water. (2004)
S. G. Estácio
P. Cabral do Couto
R. C. Guedes
B. J. Costa Cabral
J. A. Martinho Simões.
Journal articles
2004
Reaction of para-Hydroxyl-substituted Diphenylmethanes with tert-Butoxy Radical. (2004)
Catarina F. Correia et al., with 6 authors including:
José A. Martinho Simões
Journal articles
2004
Energetics of intramolecular hydrogen bonding in di-substituted benzenes by the ortho-para method (2004)
Sílvia G. Estácio
P. Cabral do Couto
Benedito J. Costa Cabral
Manuel E. Minas da Piedade
José A. Martinho Simões
Journal articles
2003
Solvent effects on the energetics of the phenol O-H bond: Differential solvation of phenol and phenoxy radical in benzene and acetonitrile (2003)
R. C. Guedes et al., with 7 authors including:
J. A. Martinho Simões
Journal articles
2003
The hydration of the OH radical: Microsolvation modeling and statistical mechanics simulation (2003)
P. Cabral do Couto
R. C. Guedes
B. J. Costa Cabral
J. A. Martinho Simões
Journal articles
2002
S-H bond dissociation enthalpies in thiophenols: A time-resolved photoacoustic calorimetry and quantum chemistry study (2002)
Rui M. Borges dos Santos et al., with 6 authors including:
José A. Martinho Simões
Journal articles
2002
Phenol O-H bond dissociation energy in water clusters (2002)
Cabral do Couto, P
Guedes, RC
Costa Cabral, BJ
Martinho Simões, JA
Journal articles
2001
Standard Enthalpies of Formation of 2,6-di-tert-Butyl-4-Methylphenol and 3,5-di-tert-Butylphenol and their Phenoxy Radicals. (2001)
M. A. V. Ribeiro da Silva et al., with 7 authors including:
J. A. Martinho Simões.
Journal articles
2001
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. (2001)
A. L. C. Lagoa et al., with 11 authors including:
J. A. Martinho Simões
Journal articles
2001
Solvation Enthalpies of Free Radicals:  O?O Bond Strength in Di-tert-butylperoxide (2001)
R. M. Borges dos Santos
V. S. F. Muralha
C. F. Correia
J. A. Martinho Simões.
Journal articles
2001
Organometallic Thermochemistry at CQE-IST. An Overview. (2001)
H. P. Diogo
M. E. Minas da Piedade
J. A. Martinho Simões
C. Teixeira.
Journal articles
2000
Guia do Laboratório de Química e Bioquímica (1ª Edição) (2000)
José A. Martinho Simões et al., with 9 authors including:
José A. Martinho Simões
Miguel A. R. Botas Castanho
Isabel M. S. Lampreia
Fernando J. V. Santos
Carlos A. Nieto de Castro
M. Fátima Norberto
M. Teresa Pamplona
Lurdes Mira
M. Margarida Meireles
Books
2000
Thermochemical Properties and Structure of Phenol-(H2O)1-6 and Phenoxy-(H2O)1-4 by Density Functional Theory. (2000)
R. C. Guedes
B. J. Costa Cabral
J. A. Martinho Simões
H. P. Diogo.
Journal articles
1999
Subtituent Effects on the O-H Bond Dissociation Enthalpies in Phenolic Compounds: Agreements and Controversies. (1999)
M. M. Bizarro
B. J. Costa Cabral
R. M. Borges dos Santos
J. A. Martinho Simões.
Journal articles
1999
Photoacoustic Calorimetry. An Examination of a Non-Classical Thermochemistry Tool. (1999)
R. M. Borges dos Santos
A. L. C. Lagoa
J. A. Martinho Simões.
Journal articles
1999
Thermochemistry of the Organometallic Compounds of Silver and Gold (1999)
J. F. Liebman
J. A. Martinho Simões
S. W. Slayden.
Book chapters
1999
Experimental Methods to Derive Bond Energy Data A Schematic Overview (1999)
J. A. Martinho Simões
M. A. V. Ribeiro da Silva.
Book chapters
1995
Standard enthalpy of formation and enthalpy of vaporization of di-1,1-dimethylethyl peroxide Re-evaluation of the standard enthalpy of formation of the di-1,1-dimethylethoxy radical (1995)
H Diogo
Manuel Piedade
martinho simões
Journal articles