All papers

 

2016

A High Loaded Cationic Nanoemulsion for Quercetin Delivery Obtained by Sub-PIT Method
M.F. Dario, M.S.C.S. Santos, A.S. Viana, E.P.G. Arêas, N.A. Bou-Chacra, M.C. Oliveira, M.E. Minas da Piedade, A.R. Baby, M.V.R. Velasco
Colloids and Surfaces A: Physicochemical and Engineering Aspects 2016, 489, 256-264.
DOI:10.1016/j.jct.2015.11.010

Structural and Energetic Characterization of Anhydrous and Hemihydrated 2-mercaptoimidazole: Calorimetric, X-ray Diffraction, and Computational Studies.
A.L.R. Silva, V.M.F. Moraisa, M.D.M.C. Ribeiro da Silva, R.G. Simões, C.E.S. Bernardes, M.F.M. Piedade, M.E. Minas da Piedade
Journal of Chemical Thermodynamics 2016, 95, 35-48.
DOI:10.1016/j.jct.2015.11.010

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2015

Kinetics and Mechanism of the Thermal Dehydration of a Robust and Yet Metastable Hemihydrate of 4-Hydroxynicotinic Acid.
A. Joseph, C.E.S. Bernardes, A.S. Viana, M.F.M. Piedade, M.E. Minas da Piedade
Crystal Growth and Design 2015, 15, 3511-3524.
DOI:10.1021/acs.cgd.5b00594

Benchmark Thermodynamic Properties of Methylanisoles: Experimental and Theoretical Study.
V. N. Emel'yanenko, K. V. Zaitseva, F. Agapito, J. A. Martinho Simões, S. P. Verevkin
Journal of Chemical Thermodynamics 2015, 88, 155-162.
DOI:10.1016/j.jct.2015.02.001

The Thermochemistry of Cubane 50 Years after its Synthesis: A High-Level Theoretical Study of Cubane and Its Derivatives.
F. Agapito, R. C. Santos, R. M. Borges dos Santos, and J. A. Martinho Simões
Journal of Physical 2015, 119, 2998-3007.
DOI:10.1021/jp511756v

Dy, Tb, Gd and Eu Complexes With Low Melting Point and Magnetic Behavior.
C. C. L. Pereira, J. T. Coutinho, L. C. Pereira, J. P. Leal; C. Laia, B. Monteiro
Polyhedron 2015, 91, 42-46.
DOI:10.1016/j.poly.2015.02.026

Evaluation of the OPLS-AA Force Field for the Study of Structural and Energetic Aspects of Molecular Organic Crystals.
C. E. S. Bernardes, A. Joseph
Journal of Physical Chemistry A 2015, 119, 3023-3034.
DOI:10.1021/jp512349r

Gas phase Affinity Scales for Typical Ionic Liquid Moieties by Cooks Kinetic Method.
J. Vitorino, J. P. Leal, M. E. Minas da Piedade
ChemPhysChem 2015, 16, 1969-1977.
DOI:10.1002/cphc.2015001011

Size Matters: An Experimental and Computational Study of the Influence of Particle Size on the Lattice Energy of NaCl.
S. Range, C. E. S. Bernardes, R. G. Simões, M. Epple, M. E. Minas da Piedade
Journal of Physical Chemistry C 2015, 119, 4387-4396.
DOI:10.1021/jp5124772

Thermochemistry of 1-alkylimidazoles.
J. Vitorino, F. Agapito. C. E. S. Bernardes, M. E. Minas da Piedade
Journal of Chemical Thermodynamics 2015, 80, 59-64.
DOI:10.1016/j.jct.2014.08.020

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2014

The Enthalpy of Formation of Anisole: Implications for the Controversy on the O-H Bond Dissociation Enthalpy in Phenol.
R. G. Simões, F. Agapito, H. P. Diogo, M. E. Minas da Piedade
Journal of Physical Chemistry A 2014, 118, 11026-11032.
DOI:10.1021/jp507267f

From Molecules to Crystals: The Solvent Plays an Active Role Throughout the Nucleation Pathway of Molecular Organic Crystals.
C. E. S. Bernardes, M. L. S. Matos Lopes, J. R. Ascenso, M. E. Minas da Piedade
Crystal Growth and Design 2014, 14, 5436-5441.
DOI:10.1021/cg500609g

Thermal Stability of Simvastatin under Different Atmospheres.
R. G. Simões, H. P. Diogo, A. Dias, M. C. Oliveira, C. Cordeiro, C. E. S. Bernardes, M. E. Minas da Piedade
Journal of Pharmaceutical Sciences 2014, 103, 241-248.
DOI:10.1002/jps.23787

Thermochemistry of 1,1,3,3-Tetramethylguanidine and 1,1,3,3-Tetramethylguanidinium Nitrate.
J. Vitorino, F. Agapito, M. F. M. Piedade, C. E. S. Bernardes, H. P. Diogo, J. P. Leal, M. E. Minas da Piedade
Journal of Chemical Thermodynamics 2014, 77, 179-189.
DOI:10.1016/j.jct.2014.01.007

Evidence of Structural Order Recovery in LDPE Based Copolymers Prepared by Gamma Irradiation.
L. M. Ferreira, J. P. Leal, M. H. Casimiro, C. Cruz, J. J. H. Lancastre, A. N. Falcão
Radiation Physics and Chemistry 2014, 94, 31-35.
DOI:10.1016/j.radphyschem.2013.06.031

The Forgotten Names of Chemical Elements.
J. P. Leal
Foundations of Science 2014, 19, 175-183.
DOI:10.1007/s10699-013-9326-y

Enthalpies of Formation of Dihydroxybenzenes Revisited: Combining Experimental and High-Level ab initio Data.
E. M. Gonçalves, F. Agapito, T. S. Almeida, J. A. Martinho Simões
Journal of Chemical Thermodynamics 2014, 73, 90-96.
DOI:10.1016/j.jct.2013.10.032

Thermochemistry of 2,2,5,7,8-Pentamethylchroman-6-ol (PMC) and 6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic Acid (Trolox).
C. E. S. Bernardes, R. G. Simões, H. P. Diogo, M. E. Minas da Piedade
Journal of Chemical Thermodynamics 2014, 73, 140-147.
DOI:10.1016/j.jct.2013.11.032

Can a Simple Ionic Model Provide Useful Enthalpies of Formation Values?.
J. P. Leal
Journal of Chemical Thermodynamics 2014, 73, 232-240.
DOI:10.1016/j.jct.2014.01.003

Enthalpies of Formation of Europium Alkoxides: What Lessons Can Be Drawn From Them.
J. B. Branco, J. M. Carretas, M. Epple, A. Cruz, A. Pires de Matos, J. P. Leal
Journal of Chemical Thermodynamics 2014, 75, 20-24.
DOI:10.1016/j.jct.2014.04.009

Light Hydrocarbons Production Over Bimetallic Calcium Actinide Oxide Catalysts Using N2O as Oxidant.
J. B. Branco, A. C. Ferreira, J. P. Leal
Journal of Molecular Catalysis A: Chemical 2014, 390, 45-51.
DOI:10.1016/j.molcata.2014.03.005

Polymorphism in 4'-Hydroxyacetophenone: A Vibrational Analysis.
C. E. S. Bernardes, L. M. Ilharco, M. E. Minas da Piedade
Journal of Molecular Structure 2014.
DOI:10.1016/j.molstruc.2013.11.050

Low Temperature Partial Oxidation of Methane Over Bimetallic Nickel - f Block Elements Oxide Nanocatalysts.
J. B. Branco, A. C. Ferreira, T. A. Gasche, G. Pimenta, J. P. Leal
Advanced Synthesis & Catalysis 2014.
DOI:10.1002/adsc.201400102

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2013

Energetics and Structure of Simvastatin.
R. G. Simões, C. E. S. Bernardes, H. P. Diogo, F. Agapito, M. E. Minas da Piedade
Molecular Pharmaceutics 2013 10, 2713-2722.
DOI:10.1021/mp400132r

Polymorphism in 4-Hydroxybenzaldehyde: A Crystal Packing and Thermodynamic Study.
R. G. Simões, C. E. S. Bernardes, M. E. Minas da Piedade
Crystal Growth and Design 2013 13, 2803-281.
DOI:10.1021/cg400123p

Thermodynamically Sick Molecules: Searching for Defective Eexperimental Enthalpies of Formation Values Using Empirical and Quantum Chemistry Methods.
Rui C. Santos, T. S. Almeida, F. Agapito, R. M. Borges dos Santos, J. A. Martinho Simões
Structural Chemistry 2013.
DOI:10.1007/s11224-013-0294-1

Energetics of H-Atom Addition to Naphthalene: A Thermochemical Cycle from Tetralin to Naphthalene.
Rui C. Santos, F. Agapito, E. M. Gonçalves, J. A. Martinho Simões, R. M. Borges dos Santos
Journal of Chemical Thermodynamics 2013, 61, 83-89.
DOI:10.1016/j.jct.2013.01.028

Energetics of Non-Bonded ortho Interactions in Alkylbenzenes.
F. Agapito, Rui C. Santos, J. A. Martinho Simões
Journal of Physical Chemistry A 2013, 117, 2873-2878.
DOI:10.1021/jp400475q

An All-atom Force Field for Molecular Dynamics Simulations on Organotrasition Metal Solids and Liquids. Application to M(CO)n (M = Cr, Fe, Ni, Mo, Ru, or W) Compounds.
C. E. S. Bernardes, J. N. Canongia Lopes, M. E. Minas da Piedade
Journal of Physical Chemistry A 2013, 117, 11107-11113.
DOI:10.1021/jp407739h

Effect of Ionizing Radiation on Antioxidant Compounds Present in Cork Wastewater.
J. Madureira, R. Melo, M. L. Botelho, J. P. Leal, I. M. Fonseca
Water Science and Technology 2013, 67, 374-379.
DOI:10.2166/wst.2012.544

Europium(III)tetrakis(β-diketonate) Complex as an Ionic liquid – A Calorimetric and Spectroscopic Study.
C. C. L. Pereira, S. Dias, I. Coutinho, J. P. Leal, L. C. Branco, C. A. T. Laia
Inorganic Chemistry 2013, 52, 3755-3764.
DOI:10.1021/ic3023024

Random Forests for Feature Selection in QSPR Models – An Application for Predicting Standard Enthalpy of Formation of Hydrocarbons.
A. L. Teixeira, J. P. Leal, A. O. Falcão
Journal of Cheminformatics 2013, 5:9.
DOI:10.1186/1758-2946-5-9

Ventajas del Uso de Simulaciones por Ordenador en el Aprendizaje de la Física.
R. Amadeu, J. P. Leal
Enseñanza de las Ciencias 2013, 31, 177-188.
WOS:000328095300011

One Example of a Chemistry E-lab Experiment: Chemical Equilibrium Reaction.
S. C. Leal, J. P. Leal
International Journal of Online Engineering 2013, 9, 44-47.
DOI:10.3991/ijoe.v9iS8.3380

Noncontiguous Atom Matching Structural Similarity Function.
A. L. Teixeira, A. O. Falcão
Journal of Chemical Information and Modeling 2013, 53, 2511-2524.
DOI:10.1021/ci400324u

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2012

A Review on Prediction Methods for Molar Enthalpies of Vaporization of Hydrocarbons: The ELBA Method as the Best Answer.
Rui C. Santos, João P. Leal
Journal of Physical and Chemical Reference Data 2012, 41, 043101.
DOI:10.1063/1.4754596

Crystallization of 4'-Hydroxyacetophenone from Water: Control of Polymorphism via Phase Diagram Studies
C. E. S. Bernardes, M. E. Minas da Piedade
Crystal Growth and Design 2012, 12, 2932-2941.
DOI:10.1021/cg300134z

Polymorphism in 4'-Hydroxyacetophenone: A Molecular Dynamics Simulation Study
C. E. S. Bernardes, M. E. Minas da Piedade, J. N. Canongia Lopes
Journal of Physical Chemistry B 2012, 116, 5179-5184.
DOI:10.1021/jp300341f

Heat Capacity and Thermodynamics of Solid and Liquid Pyridine-3-carboxylic Acid (Nicotinic Acid) Over the Temperature Range 296 K to 531 K
A. Joseph, C. E. S. Bernardes, M. E. Minas da Piedade
Journal Chemical Thermodynamics 2012, 55, 23-28.
DOI:10.1016/j.jct.2012.06.010

A General Strategy for the Experimental Study of the Thermochemistry of Protic Ionic Liquids: Enthalpy of Formation and Vaporisation of 1-methylimidazolium Ethanoate
J. Vitorino, C. E. S. Bernardes, M. E. Minas da Piedade
Physical Chemistry Chemical Physics 2012, 4440-4446.
DOI:10.1039/c2cp40213k

Direct Experimental Observation of the Aggregation of α-Amino Acids Into 100–200 nm Clusters in Aqueous Solution
D. Hagmeyer, J. Ruesing, T. Fenske, Heinz-Werner Klein, C. Schmuck, W. Schrader, M. E. Minas da Piedade, M. Epple
RSC Advances 2012, 2, 4690-4696.
DOI:10.1039/c2ra01352e

Solubility of Nicotinic Acid in Water, Ethanol, Acetone, Diethyl Ether, Acetonitrile, and Dimethyl Sulfoxide
E. M. Gonçalves, M. E. Minas da Piedade
Journal Chemical Thermodynamics 2012, 47, 362-371.
DOI:10.1016/j.jct.2011.11.023

Catalytic Oxidation of Methane on KCl-MClx (M=Li, Mg, Co, Cu, Zn) Eutectic Molten Salts
G. Lopes, A. C. Ferreira, J. P. Leal, J. B. Branco
Journal of Molecular Liquids 2012, 171, 1-5.
DOI:10.1016/j.molliq.2012.04.001

Characterization of PE-g-HEMA Films Prepared by Gamma Irradiation Through Nuclear Microprobe Techniques
L. M. Ferreira, J. P. Leal, P. A. Rodrigues, L. C. Alves, A. N. Falcão, M. H. Gil
Radiation Physics and Chemistry 2012, 81, 1319-1323.
DOI:10.1016/j.radphyschem.2012.01.045

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2011

Chemical Elements: What's in a Name?
J. P. Leal
Science 2011, 334, 176-176.
DOI:10.1126/science.334.6053.176-b

On the Way to Understand Antioxidants: Chromanol and Dimethoxyphenols Gas-Phase Acidites
P. J. A. Madeira, M. Faddoul, M. B. Afonso, P. D. Vaz, M. T. Fernandez, J. P. Leal
Journal of Mass Spectrometry 2011, 46, 640-648.
DOI:10.1002/jms.1933

Radiolytic Degradation Mechanism of Gallic Acid and its End-Products
R. Melo, J. P. Leal, M. L. Botelho
Rapid Communication in Mass Spectrometry 2011 25, 218-222.
DOI:10.1002/rcm.4803

Thermodynamic Characterization of Three Polymorphic Forms of Piracetam
R. Picciochi, H. P. Diogo, M. E. Minas da Piedade
Journal of Pharmaceutical Sciences 2011, 100, 594-603.
DOI:10.1002/jps.22294

The Structure of Aqueous Solutions of a Hydrophilic Ionic Liquid: The Full Concentration Range of 1-Ethyl-3-methylimidazolium Ethylsulfate and Water
C. E. S. Bernardes, M. E. Minas da Piedade, J. N. Canongia Lopes
Journal of Physical Chemistry B 2011, 115, 2067-2074.
DOI:10.1021/jp1113202

Thermochemistry of Aqueous Pyridine-3-carboxylic acid (Nicotinic Acid)
E. M. Gonçalves, T. S. Rego, M. E. Minas da Piedade
Journal of Chemical Thermodynamics 2011, 43, 974-979.
DOI:10.1016/j.jct.2011.02.001

Potentiometric Titration Study of the Temperature and Ionic Strength Dependence of the Acidity Constants of Nicotinic Acid (Niacin)
E. M. Gonçalves, A. Joseph, A. C. L. Conceição, M. E. Minas da Piedade
Journal of Chemical and Engineering Data 2011, (ASAP).
DOI:10.1021/je200263g

A Robust Yet Metastable New Hemihydrate of 4-Hydroxynicotininc Acid
E. P. Matias, C. E. S. Bernardes,a, M. F. M. Piedade, M. E. Minas da Piedade
Crystal Growth & Design 2011, 11, 2803-2810.
DOI:10.1021/cg1015687

Radiolytic degradation mechanism of gallic acid and its end-products
R. Melo, J. P. Leal, M.L. Botelho
Rapid Communication in Mass Spectrometry 2011, 25, 218-222.
DOI:10.1002/rcm.4803

On the way to understand antioxidants: Chromanol and dimethoxyphenols gas-phase acidites
P. J. A. Madeira, M. Faddoul, M. B. Afonso, P. D. Vaz, M. T. Fernandez, J. P. Leal
J. Mass Spectrometry 2011, 46, 640-648.
DOI:10.1002/jms.1933

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2010

Vaporisation of a Dicationic Ionic Liquid Revisited
J. Vitorino, J. P. Leal, P. Licence, K. R. J. Lovelock, P. N. Gooden, M. E. Minas da Piedade, K. Shimizu, L. P. N. Rebelo, and J. N. Canongia Lopes
ChemPhysChem 2010, 11, 3673-3677.
DOI:10.1002/cphc.201000723

Thermodynamic Characterization of Three Polymorphic Forms of Piracetam
R. Picciochi, H. P. Diogo, M. E. Minas da Piedade
Journal of Pharmaceutical Sciences 2010, 100, 594-603.
DOI:10.1002/jps.22294

Energetics of Aqueous Solutions of the Ionic Liquid 1-Ethyl-3-methylimidazolium Ethylsulfate.
M. Leskiv, C. E. S. Bernardes, M. E. Minas da Piedade, J. N. Canongia Lopes
Journal of Physical Chemistry B 2010, 114, 13179-13188.
DOI:10.1021/jp1067473

The Nature of Protic Ionic Liquids in the Gas Phase Revisited: Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Study of 1,1,3,3-Tetramethylguanidinium Chloride
J. Vitorino, J. P. Leal, M. E. Minas da Piedade, J. N. Canongia Lopes, J. M. S. S. Esperança, L. P. N. Rebelo
Journal of Physical Chemistry B 2010, 114, 8905-8909.
DOI:10.1021/jp1042798

Structure and Energetics of a New Hydrate of 4'-Hydroxyacetophenone
C. E. S. Bernardes, M. F. M. Piedade, M. E. Minas da Piedade
Crystal Growth & Design 2010, 10, 2419-2430.
DOI:10.1021/cg7012792

Energetics and Structure of Nicotinic Acid (Niacin)
E. M. Gonçalves, C. E. S. Bernardes, H. P. Diogo, M. E. Minas da Piedade
Journal of Physical Chemistry B 2010, 114, 5475-5485.
DOI:10.1021/jp101490b

Standard Enthalpies of Formation of Li, Na, K and Cs Thiolate
J. P. Leal
Journal of Thermal Analysis and Calorimetry 2010, 100, 441-446.
DOI:10.1007/s10973-009-0657-4

Thermoanalytical and Structural Characterization of Fluoridated Calcium Phosphates Prepared in Anhydrous Alcohols
R. G. Simões, A. I. Aleixo, A. L. C. Lagoa, M. E. Minas da Piedade, J. P. Leal, T. Peitschc, Matthias Epple
Journal of Thermal Analysis and Calorimetry 2010, 100, 509-517.
DOI:10.1007/s10973-009-0654-7

A Fully Automatic Apparatus for Thermal Analysis of Crystallization from Solution and Metastable Zone Width Determinations
C. E. S. Bernardes, M. E. Minas da Piedade
Journal of Thermal Analysis and Calorimetry 2010, 100, 493-500.
DOI:10.1007/s10973-009-0652-9

Thermochemistry of Paracetamol
R. Picciochi, H. P. Diogo, M. E. Minas da Piedade
Journal of Thermal Analysis and Calorimetry 2010, 100, 391-401.
DOI:10.1007/s10973-009-0634-y

O Valor Energético dos Alimentos. Exemplo de uma Determinação Experimental, Usando Calorimetria de Combustão
Rui C. Santos
Química Nova 2010, 33, 220-224.
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The α-CH BDE in Tetralin: A Time-Resolved Photoacoustic Calorimetry Study
R. M. Borges dos Santos, P. M. Nunes, J. A. Martinho Simões
Journal of Thermal Analysis and Calorimetry 2010, 100, 381-384.
DOI:10.1007/s10973-009-0632-0

Suitability of gamma irradiated chitosan/pHEMA membranes to be used as matrix in drug release system
M. H. Casimiro, M. H. Gil, J. P. Leal
International Journal of Pharmaceutics 2010, 395, 142-146.
DOI:10.1016 /j.ijpharm.2010.05.034

e-lab: a valuable tool for teaching
S. C. Leal, J.P. Leal, H. Fernandes
Contemporary Issues in Education 2010, 1, 167-174.

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2009

Energetics of tert-Butoxyl Addition Reaction to Norbornadiene. A Method for Estimating the p-Bond Strength of a Carbon-Carbon Double Bond
P. M. Nunes, S. G. Estácio, G. T. Lopes, F. Agapito, Rui C. Santos, B. J. Costa Cabral, R. M. Borges dos Santos, J. A. Martinho Simões
Journal of Physical Chemistry A 2009, 113, 6524-6530.
DOI:10.1021/jp900089t

Radioytic Degradation of Gallic Acid and Gallic Acid Derivatives in Aqueous Solution
R. Melo, J. P. Leal, E. Takács, L. Wojnárovits
Journal of Hazardous Materials 2009, 172, 1185-1192.
DOI:10.1016/j.jhazmat.2009.07.122

Additive Methods for Prediction of Thermochemical Properties. The Laidler Method Revisited. 2. Hydrocarbons Including Substituted Cyclic Compounds
Rui C. Santos, J. P. Leal, J. A. Martinho Simões
The Journal of Chemical Thermodynamics 2009, 41, 1346-1373.
DOI:10.1016/j.jct.2009.06.013

Energetics and Structure of Hydroxynicotinic Acids. Crystal Structures of 2-, 4-, 6-Hydroxynicotinic and 5-Chloro-6-hydroxynicotinic Acids
Rui C. Santos, R. M. B. B. M. Figueira, M. F. M. Piedade, H. P. Diogo, M. E. Minas da Piedade
Journal of Physical Chemistry B 2009, 113, 14291-14309.
DOI:10.1021/jp906908n

A Calorimetric System Based on the LKB 10700-1 Flow Microcalorimeter
M. Leskiv, C. E. S. Bernardes, M. E. Minas da Piedade
Measurement Science and Technology 2009, 20, 075107.
DOI:10.1088/0957-0233/20/7/075107

Energetics of Calcium Phosphate Nanoparticle Formation by the Reaction of Ca(NO3)2 with (NH4)2HPO4
M. Leskiv, A. L. C. Lagoa, H. Urch, J. Schwiertz, M. E. Minas da Piedade, M. Epple
Journal of Physical Chemistry C 2009, 113, 5478-5484.
DOI:10.1021/jp900399c

Bridging the Gap Between Ionic Liquids and Molten Salts: Group 1 Metal Salts of the Bistriflamide Anion in the Gas Phase
J. P. Leal, M. E. Minas da Piedade, J. N. Canongia Lopes, A. A. Tomaszowska, J. M. S. S. Esperança, L. P. N. Rebelo, K. R. Seddon
Journal of Physical Chemistry B 2009, 113, 3491-3498.
DOI:10.1021/jp811039b

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2008

Estimation of Enthalpies of Formation of Organometallic Compounds from their Molecular Structures
J. Jover, R. Bosquea, J. A. Martinho Simões, J. Sales
Journal of Organometallic Chemistry 2008, 693, 1261-1268.
DOI:10.1016/j.jorganchem.2008.01.021

Determination of Gas-phase Acidities of Dimethylphenols: Combined Experimental and Theoretical Study
P. J. A. Madeira, P. J. Costa, M. T. Fernandez, J. A. Martinho Simões, J. P. Leal
Journal of American Society Mass Spectrometry 2008, 19, 1590-1599.
DOI:10.1016/j.jasms.2008.06.026

Energetic Differences between the Five- and Six-Membered Ring Hydrocarbons: Strain Energies in the Parent and Radical Molecules
F. Agapito, P. M. Nunes, B. J. Costa Cabral, R. M. Borges dos Santos, J. A. Martinho Simões
Journal of Organic Chemistry 2008, 73, 6213-6223.
DOI:10.1021/jo800690m

C-H Bond Dissociation Enthalpies in Norbornane. An Experimental and Computational Study
P. M. Nunes, S. G. Estácio, G. T. Lopes, B. J. Costa Cabral, R. M. Borges dos Santos, J. A. Martinho Simões
Organic Letters 2008, 10, 1613-1616.
DOI:10.1021/ol800333q

Experimental and Molecular Dynamics Simulation Study of the Sublimation Energetics of Cyclopentadienyltricarbonylmanganese (Cymantrene)
R. Picciochi, J. N. Canongia Lopes, H. P. Diogo, M. E. Minas da Piedade
Journal of Physical Chemistry A 2008, 112, 10429-10434.
DOI:10.1021/jp805607d

Energetics of the O-H Bond and of Intramolecular Hydrogen Bonding in HOC6H4C(O)Y (Y = H, CH3, CH2CH=CH2, C≡CH, CH2F, NH2, NHCH3, NO2, OH, OCH3, OCN, CN, F, Cl, SH, and SCH3) Compounds
C. E. S. Bernardes, M. E. Minas da Piedade
Journal of Physical Chemistry A 2008, 112, 10029-10039.
DOI:10.1021/jp804455u

Polymorphism in 4'-Hydroxyacetophenone: Structure and Energetics
C. E. S. Bernardes, M. F. M. Piedade, M. E. Minas da Piedade
Crystal Growth & Design 2008, 8, 2419-2430.
DOI:10.1021/cg7012792

Experimental and Molecular Dynamics Simulation Study of the Sublimation and Vaporization Energetics of Iron Metalocenes. Crystal Structures of Fe(η5-C5H4CH3)2 and Fe[η5-(C5H5)(η5-C5H4CHO)]
C. M. Lousada, S. S. Pinto, J. N. Canongia Lopes, M. F. M Piedade, H. P. Diogo, M. E. Minas da Piedade
Journal of Physical Chemistry A 2008, 112, 2977-2987.
DOI:10.1021/jp7107818

Elemental and RBS Analysis of Hybrid Materials Prepared by Gamma-irradiation
S. R. Gomes, F. M. A. Margaça, I. M.Miranda Salvado, J. P. Leal, C. Marques, E. Alves, L. M. Ferreira, A..N. Falcão
Nuclear Instruments and Methods in Physics Research, Section B 2008, 266, 288-294.
DOI:10.1016/j.nimb.2007.11.007

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2007

Drug Release Assays From New Chitosan/Phema Membranes Obtained by Gamma Irradiation
M. H. Casimiro, M. H. Gil, J. P. Leal
Nuclear Instruments and Methods in Physics Research, Section B 2007, 265, 406-409.
DOI:10.1016/j.nimb.2007.09.013

FTICR/MS Studies of Gas-Phase Actinide Ion Reactions: Fundamental Chemical and Physical Properties of Atomic and Molecular Actinide Ions and Neutrals
J. K. Gibson, R. G. Haire, J. Marçalo, M. Santos, J. P. Leal, A. Pires de Matos, R. Tyagi, M. K. Mrozik, R. M. Pitzer, B. E. Bursten
The European Physical Journal D 2007, 45, 133-138.
DOI:10.1140/epjd/e2007-00151-4

Corrigendum to "Thermochemistry of Alkaline-earth Phenoxides" [J. Chem. Thermodyn. 38 (2006) 296-303]
C. Hipólito, J. P. Leal, Y. Guo, M. Epple
The Journal of Chemical Thermodynamics 2007, 39, 167-168.
DOI:10.1016/j.jct.2006.05.014

Energetics of Cresols and of Methylphenoxyl Radicals
L. S. Richard, C. E. S. Bernardes, H. P. Diogo, J. P. Leal, M. E. Minas da Piedade
Journal of Physical Chemistry A 2007, 111, 8741-8748.
DOI:10.1021/jp073515m

The Nature of Ionic Liquids in the Gas Phase
J. P. Leal, J. M. S. S. Esperança, M. E. Minas da Piedade, J. N. Canongia Lopes, L. P. N. Rebelo, K. R. Seddon
Journal of Physical Chemistry A 2007, 111, 6176-6182.
DOI:10.1021/jp073006k

Thermochemistry of 2- and 4-Biphenylmethanol
S. S. Pinto, C. E. S. Bernardes, H. P. Diogo, M. E. Minas da Piedade
Journal of Chemical Thermodynamics 2007, 39, 1384-1391.
DOI:10.1016/j.jct.2007.03.002

Energetics of C-F, C-Cl, C-Br, and C-I Bonds in 2-Haloethanols. Enthalpies of Formation of XCH2CH2OH (X = F, Cl, Br, I) Compounds and of the 2-Hydroxyethyl Radical
C. E. S. Bernardes, M. E. Minas da Piedade, L. M. P. F. Amaral, A. I. M. C. L. Ferreira, M. A. V. Ribeiro da Silva, H. P. Diogo, B. J. Costa Cabral
Journal of Physical Chemistry A 2007, 111, 1713-1720.
DOI:10.1021/jp0675678

Energetics of the Allyl Group
F. Agapito, P. M. Nunes, B. J. Costa Cabral, R. M. Borges dos Santos, J. A. Martinho Simões
Journal of Organic Chemistry 2007, 72, 8770-8779.
DOI:10.1021/jo701397r

Substituent Effects on Water-Assisted Proton Transfer in [p-XC6H4OH-(H2O)1-3]+ Clusters
H. F. M. C. Martiniano, B. J. Costa Cabral, J. A. Martinho Simões
Chemical Physics Letters 2007, 442, 451-459.
DOI:10.1016/j.cplett.2007.05.083

A Cost-Effective Basis Set Extrapolation Scheme: Application to the Energetics of Homolytic Bond Dissociation
F. Agapito, B. J. Costa Cabral, J. A. Martinho Simões
Journal of Molecular Structure: THEOCHEM 2007, 811, 361-372.
DOI:10.1016/j.theochem.2006.12.050

Bond Dissociation Enthalpies in the Gas Phase and in Solution: Making Ends Meet
R. M. Borges dos Santos, B. J. Costa Cabral, J. A. Martinho Simões
Pure & Applied Chemistry 2007, 79, 1369-1382.
DOI:10.1351/pac200779081369

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2006

An OPLS-Based All-Atom Force Field for Metallocenes
J. N. Canongia Lopes, P. Cabral do Couto, M. E. Minas da Piedade
Journal of Physical Chemistry A 2006, 110, 13850-13856.
DOI:10.1351/pac200779081369

Effect of Ring Substitution on the S-H Bond Dissociation Enthalpies of Thiophenols. An Experimental and Computational Study
P. Mulder, O. Mozenson, S. Lin, C. E. S. Bernardes, M. E. Minas da Piedade, A. F. L. O. M. Santos, M. A. V. Ribeiro da Silva, G. A. DiLabio, H.-G. Korth, K. U. Ingold
Journal of Physical Chemistry A 2006, 110, 9949-9958.
DOI:10.1021/jp062896l

Energetics of the Thermal Dimerization of Acenaphthylene to Heptacyclene
Rui C. Santos, C. E. S. Bernardes, H. P. Diogo, M. F. M. Piedade, J. N. Canongia Lopes, M. E. Minas da Piedade
Journal of Physical Chemistry A 2006, 110, 2299-2307.
DOI:10.1021/jp062781h

A New Calorimetric System to Measure Heat Capacities of Solids by the Drop Method
C. E. S. Bernardes, L. M. N. B. F. Santos, M. E. Minas da Piedade
Measurement Science and Technology 2006, 17, 1405-1408.
DOI:10.1021/jp056275o

Comment on "Controversy on the First Ionization Potential of PuO2 (Nearly) Settled by New Experimental Evidence"
J. K. Gibson, M. Santos, J. Marçalo, J. P. Leal, A. Pires de Matos, R. G. Haire
Journal of Physical Chemistry A 2006, 110, 4131-4132.
DOI:10.1088/0957-0233/17/6/018

PIXE Capabilities for Biogeochemical Cycles Studies in the Northeastern Atlantic
M. A. Reis, P. C. Chaves, J. P. Leal, M. G. Cabeçadas, A. F. Rodrigues, M. Juliano, H. Th. Wolterbeek
Nuclear Instruments and Methods in Physics Research, Section B 2006, 249, 579-583.
DOI:10.1016/j.nimb.2006.03.059

S-H Bond Dissociation Enthalpies: The Importance of a Complete Basis Set Approach
P. Cabral do Couto, B. J. Costa Cabral, J. A. Martinho Simões
Chemical Physics Letters 2006, 421, 504-507.
DOI:10.1016/j.cplett.2006.02.009

Enthalpy of Formation of the Cyclopentadienyl Radical: Photoacoustic Calorimetry and ab Initio Studies
P. M. Nunes, F. Agapito, B. J. Costa Cabral, R. M. Borges dos Santos, J. A. Martinho Simões
Journal of Physical Chemistry A 2006, 110, 5130-5134.
DOI:10.1021/jp060325n

Thermochemistry of Alkaline-Earth Phenoxides
C. Hipólito, J. P. Leal, Y. Guo, M. Epple
Journal Chemical Thermodynamics 2006, 38, 296-303.
DOI:10.1016/j.jct.2005.05.016

Time-resolved Photoacoustic Calorimetry as a Tool to Determine Rate Constants of Hydrogen Abstraction Reactions
P. M. Nunes, C. F. Correia, R. M. Borges dos Santos, J. A. Martinho Simões
International Journal of Chemical Kinetics 2006, 38, 357-363.
DOI:10.1002/kin.20173

The Enthalpy of Formation of the Pentane-2,4-dionate radical: A Complete Basis Set Approach
P. Cabral do Couto, B. J. Costa Cabral, J. A. Martinho Simões
Chemical Physics Letters 2006, 419, 486-491.
DOI:10.1016/j.cplett.2005.11.124

Study of the Solubility and the Metastable Zone of a Carbazole Derivative
P. Correia, C. Lopes, M. E. Minas da Piedade, M. L. Serrano, J. A. A. Lourenço
Journal of Chemical and Engineering Data 2006, 51, 1306-1309.
DOI:10.1021/je0600552

Determination of Acidity Constants by Gradient Flow-Injection Titration
A. C. L. Conceição, M. E. Minas da Piedade
Journal of Chemical Education 2006, 83, 1853-1856.
DOI:10.1021/ed083p1853

Additive Methods for Prediction of Thermochemical Properties. The Laidler Method Revisited. 1. Hydrocarbons
J. P. Leal
Journal of Physical and Chemical Reference Data 2006, 35, 55-76.
DOI:10.1063/1.1996609

The Antioxidant Activity of a Catechol Derived from Abietic Acid
G. C. Justino, C. F. Correia, L. Mira, R. M. Borges dos Santos, J. A. Martinho Simões, A. M. Silva, C. Santos, B. Gigante
Journal of Agricultural and Food Chemistry 2006, 54, 342-348.
DOI:10.1021/jf052062k

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2005

Determination of the Ionization Energy of NpO2 and Comparative Ionization Energies of Actinide Oxides
J. K. Gibson, R. G. Haire, J. Marçalo, M. Santos, A. Pires de Matos, J. P. Leal
Journal of Nuclear Materials 2005, 344, 24-29.
DOI:10.1016/j.jnucmat.2005.04.010

A Molecular Dynamics Study of the Thermodynamic Properties of Calcium Apatites. I - Hexagonal Phases
F. J. A. L. Cruz, J. N. Canongia Lopes, J. C. G. Calado, M. E. Minas da Piedade
Journal of Physical Chemistry B 2005, 109, 24473-24479.
DOI:10.1021/jp054304p

Energetics of Hydroxybenzoic Acids and of the Corresponding Carboxyphenoxyl Radicals. Intramolecular Hydrogen Bonding in 2-Hydroxybenzoic Acid
S. S. Pinto, H. P. Diogo, R. C. Guedes, B. J. Costa Cabral, M. E. Minas da Piedade, J. A. Martinho Simões
Journal of Physical Chemistry A 2005, 109, 9700-9708.
DOI:10.1021/jp054220g

Standard Molar Enthalpies of Formation of Li, Na, K, Rb and Cs Methylphenoxides
C. Hipólito, J. P. Leal
Thermochimica Acta 2005, 429, 125-131.
DOI:10.1016/j.tca.2005.02.027

Characterization of Gamma-Irradiated Chitosan/pHEMA Membranes for Biomedical Purposes
M. H. Casimiro, J. P. Leal, M. H. Gil
Nuclear Instruments and Methods in Physics Research - Section B 2005, 236, 482-487.
DOI:10.1016/j.nimb.2005.04.023

Standard Molar Enthalpies of Formation of Hydroxy-, Chlor-, and Bromapatite.
F. J. A. L. Cruz, M. E. Minas da Piedade, J. C. G. Calado
Journal of Chemical Thermodynamics 2005, 37, 1061-1070.
DOI:10.1016/j.jct.2005.01.010

Enthalpies of Formation and Lattice Enthalpies of Alkaline Metal Acetates
A. I. Aleixo, P. H. Oliveira, H. P. Diogo, M. E. Minas da Piedade
Thermochimica Acta 2005, 428, 131-136.
DOI:10.1016/j.theochem.2005.06.004

Oxygen-Oxygen Bond Dissociation Enthalpies of Di-tert-butyl Peroxide and Di-trifluoromethyl Peroxide
F. Agapito, B. J. Costa Cabral, J. A. Martinho Simões
Journal of Molecular Structure: THEOCHEM 2005, 729, 233-237.
DOI:10.1016/j.theochem.2005.06.004

Carbon-Hydrogen Bond Dissociation Enthalpies in Ethers. A Theoretical Study.
F. Agapito, B. J. Costa Cabral, J. A. Martinho Simões
Journal of Molecular Structure: THEOCHEM 2005, 719, 109-114.
DOI:10.1016/j.theochem.2005.01.028

Study on Chemical, UV and Gamma Radiation Induced Grafting of 2-Hydroxyethyl methacrylate onto Chitosan
M. H. Casimiro, M. L. Botelho, J. P. Leal, M. H. Gil
Radiation Physics and Chemistry 2005, 72/6, 731-735.
DOI:10.1016/j.radphyschem.2004.04.029

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2004

Study on Chemical, UV and Gamma Radiation Induced Grafting of 2-Hydroxyethyl methacrylate onto Chitosan
M. H. Casimiro, M. L. Botelho, J. P. Leal, M. H. Gil
Radiation Physics and Chemistry 2004, 72/6, 731-735.
DOI:10.1016/j.radphyschem.2004.04.029

Energetics of the Interaction of the Antitumour Agent Titanocene Dichloride with Glycine. Enthalpy of Formation of [Ti(h5-C5H5)2(OOCCH2NH3)2]Cl2
P. Nunes, M. E. Minas da Piedade
Journal of Chemical Thermodynamics 2004, 36, 321-323.
DOI:10.1016/j.jct.2004.01.002

Toward the Prediction of the Activity of Antioxidants: Experimental and Theoretical Study of the Gas-Phase Acidities of Flavonoids
H. F. P. Martins, J. P. Leal, M. T. Fernandez, V. H. C. Lopes, M. N. D. S. Cordeiro
Journal of the American Society for Mass Spectrometry 2004, 15, 848-861.
DOI:10.1016/j.jams.2004.02.007

Reaction of para-Hydroxyl-substituted Diphenylmethanes with tert-Butoxy Radical
C. F. Correia, R. M. Borges dos Santos, S. G. Estácio, J. P. Telo, B. J. Costa Cabral, J. A. Martinho Simões
ChemPhysChem 2004, 5, 1217-1221.
DOI:10.1002/cphc.200400044

The Energetics of Intramolecular Hydrogen Bonding in Di-substituted Benzenes by the ortho-para Method
S. G. Estácio, P. Cabral do Couto, B. J. Costa Cabral, M. E. Minas da Piedade, José A. Martinho Simões
Journal of Physical Chemistry A 2004, 108, 10834-10843.
DOI:10.1021/jp0473422

O-H Bond Dissociation Enthalpies in Hydroxyphenols. A Time-Resolved Photoacoustic Calorimetry and Quantum Chemistry Study
C. F. Correia, R. C. Guedes, R. M. Borges dos Santos, B. J. Costa Cabral, J. A. Martinho Simões
Physical Chemistry Chemical Physics 2004, 6, 2109-2118.
DOI:10.1039/B314093h

Homolytic Dissociation in Hydrogen Bonding Liquids: Energetics of the Phenol O-H Bond in Methanol and the Water O-H Bond in Water
S. G. Estácio, P. Cabral do Couto, R. C. Guedes, B. J. Costa Cabral, J. A. Martinho Simões
Theoretical Chemical Accounts 2004, 112, 282-289.
DOI:10.1007/s00214-004-0580-5

Gas-Phase Energetics of Organic Free Radicals using Time-Resolved Photoacoustic Calorimetry
C. F. Correia, P. M. Nunes, R. M. Borges dos Santos, J. A. Martinho Simões
Thermochimica Acta2004, 420, 3-11.
DOI:10.1016/j.tca.2003.10.027

Energetics of Arylbenzyl Radicals: A Time-Resolved Photoacoustic Calorimetry Study
V. S. F. Muralha, R. M. Borges dos Santos, J. A. Martinho Simões
Journal of Physical Chemistry A 2004, 108, 936-942.
DOI:10.1021/jp036293a

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2003

FTICR-MS Study of the Gas-Phase Thermochemistry of Americium
M. Santos, J. Marçalo, J. P. Leal, A. Pires de Matos, J. K. Gibson, R. G. Haire
International Journal of Mass Spectrometry 2003, 228, 457-465.
DOI:10.1016/S1387-3806(03)00138-6

Bonding Energetics of Alkaline Metal Alkoxides and Phenoxides
P. Nunes, J. P. Leal, V. Cachata, H. Raminhos, M. E. Minas da Piedade
Chemistry - A European Journal 2003, 9, 2095-2101.
DOI:10.1002/chem.200204447

The Hydration of the OH Radical: Microsolvation Modeling and Statistical Mechanics Simulation
P. Cabral do Couto, R. C. Guedes, B. J. Costa Cabral, J. A. Martinho Simões
Journal of Chemical Physics 2003, 119, 7344-7355.
DOI:10.1063/1.1605939

Solvent Effects on the Energetics of the Phenol O-H bond: Differential Solvation of Phenol and Phenoxy Radical in Benzene and Acetonitrile
R. C. Guedes, K. Coutinho, B. J. Costa Cabral, S. Canuto, C. F. Correia, R. M. Borges dos Santos, J. A. Martinho Simões
Journal of Physical Chemistry A 2003, 107, 9197-9207.
DOI:10.1021/jp035912c

Enthalpy of Formation of Monoclinic 2-Hydroxybenzoic Acid
S. S. Pinto, H. P. Diogo, M. E. Minas da Piedade
Journal of Chemical Thermodynamics 2003, 35, 177-188.
DOI:10.1016/S0021-9614(02)00351-8

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2002

On the Transferability of Ir-I Bond Enthalpies between [Ir(m-StBu)(I)2(CO)2]2 and trans-[Ir(X)(I)2(CO)(PPh3)2] (X = F, Cl, Br, I) Complexes
L. F. Veiros, M. E. Minas da Piedade
Journal of Organometallic Chemistry 2002, 662, 105-111.
DOI:10.1016/S0022-328X(02)01896-X

Driving Force for the Thermally Induced Solid State Polymerization of Alkali Metal Halogenoacetates: A Thermochemical Analysis
A. L. C. Lagoa, H. P. Diogo, M. E. Minas da Piedade, K. Schwarz, M. Epple
Journal of Physical Chemistry B 2002, 106, 10764-10770.
DOI:10.1021/jp014361s

Energetics of the C-Cl Bond in CH3CH(Cl)COOH. Enthalpy of Formation of (S)-(-)-2- Chloropropionic Acid and of the 1-Carboxyethyl Radical
A. L. C. Lagoa, H. P. Diogo, M. E. Minas da Piedade, L. M. P. F. Amaral, R. C. Guedes, B. J. Costa Cabral, D. V. Kulikov, S. P. Verevkin, M. Siedler, M. Epple
Journal of Physical Chemistry A 2002, 106, 9855-9861.
DOI:10.1021/jp020412p

Enthalpy of Formation of Benzo[k]fluoranthene
H. P. Diogo, M. E. Minas da Piedade
Journal of Chemical Thermodynamics 2002, 34, 173-184.
DOI:10.1006/jcht.2001.0895

The Aromaticity of Pyracylene: An Experimental and Computational Study of the Energetics of the Hydrogenation of Acenaphthylene and Pyracylene
H. P. Diogo, T. Kiyobayashi, M. E. Minas da Piedade, N. Burlak D. W. Rogers, D. McMasters, G. Persy, J. Wirz, J. F. Liebman
Journal of the American Chemical Society 2002, 124, 2065-2072.
DOI:10.1021/ja012541

S-H Bond Dissociation Enthalpies in Thiophenols: A Time-Resolved Photoacoustic Calorimetry and Quantum Chemistry Study
R. M. Borges dos Santos, V. S. F. Muralha, C. F. Correia, R. C. Guedes, B. J. Costa Cabral, J. A. Martinho Simões
Journal of Physical Chemistry A 2002, 106, 9883-9889.
DOI:10.1021/jp025677i

Phenol O-H Bond Dissociation Energy in Water Clusters
P. Cabral do Couto, R. C. Guedes, B. J. Costa Cabral, J. A. Martinho Simões
International Journal of Quantum Chemistry 2002, 86, 297-304.
DOI:10.1002/qua.1110

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2001

Porous Poly(D,L-lactide) and Poly(D,L-Lactide-co-glycolide) by Thermal Salt Elimination from Halogenocarboxylates
M. Siedler, S. J. Kitchin, K. D. M. Harris, A. L. C. Lagoa, H. P. Diogo, M. E. Minas da Piedade, M. Epple
Journal of Chemical Society, Dalton Transaction 2001, 3140-3148.
DOI:10.1039/b104979h

Enthalpies of Sublimation of M(h5-C5H5)2Cl2 (M = Ti, Zr, Hf, V, Nb, W) Complexes
H. P. Diogo, M. E. Minas da Piedade, J. M. Gonçalves, M. J. S. Monte, M. A. V. Ribeiro da Silva
European Journal of Inorganic Chemistry 2001, 257-262.
DOI:10.1002/1099-0682(20011)2001:1%3c257::AID-EJIC257%3e3.0.CO;2-2

Synthesis of Novel Polyurethanes from Sugars and 1,6-Hexamethylene Diisocyanate
R. Garçon, C. Clerk, J.-P. Gesson, J. Bordado, T. Nunes, S. Caroço, P. T. Gomes, M. E. Minas da Piedade, A. P. Rauter
Carbohydrate Polymers 2001, 45, 123-127.
DOI:10.1016/S0144-8617(00)00323-4

The Standard Molar Enthalpy of Sublimation of h5-Bis-pentamethylcyclopentadienyl Iron Measured with an Electrically Calibrated Vacuum-drop Sublimation Microcalorimetric Apparatus
T. Kiyobayashi, M. E. Minas da Piedade
Journal of Chemical Thermodynamics2001, 33, 11-21.
DOI:10.1006/jcht.2000.0716

Bond Dissociation Enthalpies in U(IV) Complexes. An Integrated view
J. P. Leal, N. Marques, J. Takats
Journal of Organometallic Chemistry 2001, 632, 209-214.
DOI:10.1016/S0022-328X(01)01068-3

Standard Enthalpies of Formation of Li, Na, K and Tl Cyclopentadienyls
J. P. Leal, V. Cachata, A. Carvalho
European Journal of Inorganic Chemistry 2001, 1587-1591.
DOI:10.1002/1099-0682(200106)2001:6%3c1587::AID-EJIC1587%3e3.0.CO;2-3

Organometallic Thermochemistry at CQE-IST. An Overview
H. P. Diogo, M. E. Minas da Piedade, J. A. Martinho Simões, C. Teixeira
Journal of Organometallic Chemistry 2001, 632, 188-196.
DOI:10.1016/S0022-328X(01)00861-0

Solvation Enthalpies of Free Radicals: O-O Bond Strength in di-tert-Butylperoxide
R. M. Borges dos Santos, V. S. F. Muralha, C. F. Correia, J. A. Martinho Simões
Journal of the American Chemical Society 2001, 123, 12670-12674.
DOI:10.1021/Ja010703w

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
A. L. C. Lagoa, H. P. Diogo, M. P. Dias, M. E. Minas da Piedade, L. M. P. F. Amaral, M. A. V. Ribeiro da Silva, J. A. Martinho Simões, R. C. Guedes, B. J. Costa Cabral, K. Schwarz, M. Epple
Chemistry - A European Journal 2001, 7, 483-489.
DOI:10.1039/B104979h

Standard Enthalpies of Formation of 2,6-di-tert-Butyl-4-Methylphenol and 3,5-di-tert-Butylphenol and their Phenoxy Radicals
M. A.V. Ribeiro da Silva, M. A. R. Matos, M. S. Miranda, M. H. F. A. Sousa, R. M. Borges dos Santos, M. M. Bizarro, J. A. Martinho Simões
Structural Chemistry 2001, 12, 171-181.
DOI:10.1023/A:1016600727116

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2000

Standard Molar Enthalpies of Formation of Mg and Ca Alkoxides
T. Barreira, J. P. Leal
European Journal of Inorganic Chemistry 2000, 987-991.
DOI:10.1002/(SICI)1099-0682(200005)2000:5%3c993::AID-EJIC993%3e3.0.CO;2-3

Thermochemical Properties and Structure of Phenol-(H2O)1-6 and Phenoxy-(H2O)1-4 by Density Functional Theory
R. C. Guedes, B. J. Costa Cabral, J. A. Martinho Simões, H. P. Diogo
Journal of Physical Chemistry A 2000, 104, 6062-6068.
DOI:10.1021/jp0000580

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1999

Sublimation Enthalpies of Metallocenes. Do the Metal Atoms Have their Individualities?
T. Kiyobayashi, M. E. Minas da Piedade
Annual Report of Microcalorimetry Research Center (Osaka) 1999, 20, 66-67.

The Determination of the Standard Molar Enthalpy of Formation of 4-Chlorobenzoic Acid by Micro Rotating-Bomb Combustion Calorimetry
Rui C. Santos, H. P. Diogo, M. E. Minas da Piedade
Journal of Chemical Thermodynamics 1999, 31, 1417-1427.
DOI:10.1006/jcht.1999.0493

Photoacoustic Calorimetry. An Examination of a Non-Classical Thermochemistry Tool
R. M. Borges dos Santos, A. L. C. Lagoa, J. A. Martinho Simões
Journal of Chemical Thermodynamics 1999, 31, 1483-1510.
DOI:10.1006/jcht.1999.0513

Subtituent Effects on the O-H Bond Dissociation Enthalpies in Phenolic Compounds: Agreements and Controversies
M. M. Bizarro, B. J. Costa Cabral, R. M. Borges dos Santos, J. A. Martinho Simões
Pure and Applied Chemistry 1999, 71, 1249-1256 (ibid. 1609-1610).
DOI:10.1351/pac199971071249

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1998

Atomic Emission Spectra Using a UV-Vis Spectrophotometer
M. E. Minas da Piedade, M. N. Berberan-Santos
Journal of Chemical Education 1998, 75, 1013-1017.
DOI:10.1021/ed075p1013

Energetics of the O-H Bond in Phenol and Substituted Phenols. A Critical Evaluation of Literature Data
R. M. Borges dos Santos, J. A. Martinho Simões
Journal of Physical and Chemical Reference Data 1998, 27, 707-739.
DOI:10.1063/1.556020

Photophysical Properties and Photobiological Activity of the Furanochromones Visnagin and Khellin
M. L. Borges, L. Latterini, F. Elisei, P. F. Silva, R. Borges, R. S. Becker, A. L. Maçanita
Photochemistry and Photobiology 1998, 67, 184-191.
DOI:10.1111/j.1751-1097.1998.tb05185.x

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1997

Enthalpy of Formation of C70
H. P. Diogo, M. E. Minas da Piedade, A. D. Darwish, T. J. S. Dennis
Journal of Physics and Chemistry of Solids 1997, 58, 1965-1971.
DOI:10.1016/S0022-3697(97)00074-7

Gas Phase Actinide Ion Chemistry: FT-ICR/MS Study of the Reactions of Thorium and Uranium Metal and Oxide Ions with Arenes
J. Marçalo, J. P. Leal, A. Pires de Matos, A. G. Marshall
Organometallics 1997, 16, 4581-4588.
DOI:10.1021/om970206h

Hydrocarbyl Derivatives of [UCl2{HB(pz)3}2]: Synthesis, Characterization and Reactivity Studies Towards Protic Substrates and Ketones
M. P. C. Campello, M. J. Calhorda, A. Domingos, A. Galvão, J. P. Leal, A. Pires de Matos, I. Santos
Journal of Organometallic Chemistry 1997, 538, 223-239.
DOI:10.1016/S0022-328X(97)00078-8

Molecular Thermochemistry: 20 Years of Experiments and Estimates
M. E. Minas da Piedade, J. A. Martinho Simões
Revista Portuguesa de Química 1997, 4, 45-56.

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1996

The Enthalpy of Formation of Pyracylene
H. P. Diogo, G. Persy, M. E. Minas da Piedade, J. Wirz
Journal of Organic Chemistry 1996, 61, 6733-6734.
DOI:10.1021/jo952182z

Gas Phase Actinide Ion Chemistry: Activation of Alkanes and Alkenes by Thorium Cations
J. Marçalo, J. P. Leal, A. Pires de Matos
International Journal Mass Spectrometry, Ion Processes 1996, 157/158, 265-274.
DOI:10.1016/S0168-1176(96)04401-1

Density-Functional and Density-Functional Reaction Field Calculations of the Molecular Properties of Phenol
B. J. Costa Cabral, R. G. Bakker Fonseca, J. A. Martinho Simões
Chemical Physics Letters 1996, 258, 436-444.
DOI:10.1016/0009-2614(96)00651-3

Energetics of the Oxidative Addition of I2 to [Ir(m-L)(I)(CO)2]2 (L = StBu, 3,5-Me2pz, 7-aza) Complexes. X-Ray Structure of [Ir(m-StBu)(I)(CO)2]2 and [Ir(m-3,5-Me2pz)(I)(CO)2]2
M. A. Ciriano, A. R. Dias, P. M. Nunes, L. A. Oro, M. F. Minas da Piedade, M. E. Minas da Piedade, P. Ferreira da Silva, J. A. Martinho Simões, J. J. Pérez-Torrente, L. F. Veiros
Structural Chemistry 1996, 7, 337-354.
DOI:10.1007/BF02275160

Energetics of Organometallic Species: The Entropic Factor
M. E. Minas da Piedade, J. A. Martinho Simões
Journal of Organometallic Chemistry 1996, 518, 167-180.
DOI:10.1016/0022-328X(96)06193-1

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