Molecular Energetics Group
Publication list
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The α-C—H BDE in Tetralin: A Time-resolved Photoacoustic Calorimetry Study
Borges dos Santos, R. M.; Nunes, P. M.; Martinho Simões, J. A.
J. Therm. Anal. Cal. 2010, 100, 381-384.
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Energetics of tert-Butoxyl Addition Reaction to Norbornadiene. A Method for Estimating the π-Bond Strength of a Carbon-Carbon Double Bond
Nunes, P. M.; Estácio, S. G.; Lopes, G. T.; Agapito, F.; Santos, R. C.; Costa Cabral, B. J.; Borges dos Santos, R. M.; Martinho Simões, J. A.
J. Phys. Chem. A 2009, 113, 6524-6530.
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Energetic Differences between the Five- and Six-Membered Ring Hydrocarbons: Strain Energies in the Parent and Radical Molecules
Agapito, F.; Nunes, P. M.; Costa Cabral, B. J.; Borges dos Santos, R. M.; Martinho Simões, J. A.
J. Org. Chem. 2008, 73, 6213-6223.
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C—H Bond Dissociation Enthalpies in Norbornane. An Experimental and Computational Study
Nunes, P. M.; Estácio, S. G.; Lopes, G. T.; Costa Cabral, B. J.; Borges dos Santos, R. M.; Martinho Simões, J. A.
Org. Lett. 2008, 10, 1613-1616.
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Energetics of the Allyl Group
Agapito, F.; Nunes, P. M.; Costa Cabral, B. J.; Borges dos Santos, R. M.; Martinho Simões, J. A.
J. Org. Chem. 2007, 72, 8770-8779.
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Bond Dissociation Enthalpies in the Gas Phase and in Solution: Making Ends Meet
Borges dos Santos, R. M.; Costa Cabral, B. J.; Martinho Simões, J. A.
Pure Appl. Chem. 2007, 79, 1369-1382.
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Enthalpy of Formation of the Cyclopentadienyl Radical: Photoacoustic Calorimetry and ab Initio Studies
Nunes, P. M.; Agapito, F.; Costa Cabral, B. J.; Borges dos Santos, R. M.; Martinho Simões, J. A.
J. Phys. Chem. A 2006, 110, 5130-5134.
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Time-resolved Photoacoustic Calorimetry as a Tool to Determine Rate Constants of Hydrogen Abstraction Reactions
Nunes, P. M.; Correia, C. F.; Borges dos Santos, R. M.; Martinho Simões, J. A.
Int. J. Chem. Kin. 2006, 38, 357-363.
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The Antioxidant Activity of a Catechol Derived from Abietic Acid
Justino, G. C.; Correia, C. F.; Mira, L.; Borges dos Santos, R. M.; Martinho Simões, J. A.; Silva, A. M.; Santos, C.; Gigante, B.
J. Agric. Food Chem. 2006, 54, 342-348.
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Gas-Phase Energetics of Organic Free Radicals using Time-Resolved Photoacoustic Calorimetry
Correia, C. F.; Nunes, P. M.; Borges dos Santos, R. M.; Martinho Simões, J. A.
Thermochim. Acta 2004, 420, 3-11.
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Reaction of para-Hydroxyl-substituted Diphenylmethanes with tert-Butoxy Radical
Correia, C. F.; Borges dos Santos, R. M.; Estácio, S. G.; Telo, J. P.; Costa Cabral, B. J.; Martinho Simões, J. A.
Chem. Phys. Chem. 2004, 5, 1217-1221.
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O—H Bond Dissociation Enthalpies in Hydroxyphenols. A Time-resolved Photoacoustic Calorimetry and Quantum Chemistry Study
Correia, C. F.; Guedes, R. C.; Borges dos Santos, R. M.; Costa Cabral, B. J.; Martinho Simões, J. A.
Phys. Chem. Chem. Phys. 2004, 6, 2109-2118.
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Energetics of Arylbenzyl Radicals: A Time-resolved Photoacoustic Calorimetry Study
Muralha, V. S. F.; Borges dos Santos, R. M.; Martinho Simões, J. A.
J. Phys. Chem. A 2004, 108, 936-942.
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Solvent Effects on the Energetics of the Phenol O—H bond: Differential Solvation of Phenol and Phenoxy Radical in Benzene and Acetonitrile
Guedes, R. C.; Coutinho, K.; Costa Cabral, B. J.; Canuto, S.; Correia, C. F.; Borges dos Santos, R. M.; Martinho Simões, J. A
J. Phys. Chem. A 2003, 107, 9197-9207.
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S—H Bond Dissociation Enthalpies in Thiophenols: A Time-resolved Photoacoustic Calorimetry and Quantum Chemistry Study
Borges dos Santos, R. M.; Muralha, V. S. F.; Correia, C. F.; Guedes, R. C.; Costa Cabral, B. J.; Martinho Simões, J. A.
J. Phys. Chem. A 2002, 106, 9883-9889.
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Solvation Enthalpies of Free Radicals: O—O Bond Strength in di-tert-Butylperoxide
Borges dos Santos, R. M.; Muralha, V. S. F.; Correia, C. F.; Martinho Simões, J. A.
J. Am. Chem. Soc. 2001, 123, 12670-12674.
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Standard Enthalpies of Formation of 2,6-di-tert-Butyl-4-Methylphenol and 3,5-di-tert-Butylphenol and their Phenoxy Radicals
Ribeiro da Silva, M. A. V.; Matos, A. R.; Miranda, M. S.; Sousa, M. H. F. A.; Borges dos Santos, R. M.; Bizarro, M. M.; Martinho Simões, J. A.
Struct. Chem. 2001, 12, 171-181.
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Photoacoustic Calorimetry. An Examination of a Non-Classical Thermochemistry Tool
Borges dos Santos, R. M.; Lagoa, A. L. C.; Martinho Simões, J. A.
J. Chem. Thermodyn. 1999, 31, 1483-1510.
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Subtituent Effects on the O—H Bond Dissociation Enthalpies in Phenolic Compounds: Agreements and Controversies
Bizarro, M. M.; Costa Cabral, B. J.; Borges dos Santos, R. M.; Martinho Simões, J. A.
Pure Appl. Chem. 1999, 71, 1249-1256 (ibid. 1609-1610).
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Energetics of the O—H Bond in Phenol and Substituted Phenols. A Critical Evaluation of Literature Data
Borges dos Santos, R. M.; Martinho Simões, J. A.
J. Phys. Chem. Ref. Data 1998, 27, 707-739.
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Photophysical Properties and Photobiological Activity of the Furanochromones Visnagin and Khellin
Borges, M. L.; Latterini, L.; Elisei, F.; Silva, P. F.; Borges, R.; Becker, R. S.; Maçanita, A. L.
Photochem. Photobiol. 1998, 67, 184-191.