A force field for MD simulations on rhenium organometallic compounds developed from enthalpy of sublimation and X-ray diffraction measurements
JOURNAL OF CHEMICAL THERMODYNAMICS, 133, 60-69 6 2019
Carlos E. S. Bernardes , Mariana T. Donato , M.Fatima M.Piedade , H. P. Diogo , José Nuno Canongia Lopes , M. E. M. Piedade

The Curious Case of Acetaldehyde Phenylhydrazone: Resolution of a 120 Year Old Puzzle where Forms with Vastly Different Melting Points Have the Same Structure
CRYSTAL GROWTH \& DESIGN, 19, 907-917 2 2019
Carlos Bernades , Marina Carravetta , Simon J. Coles , Ernst R. H. van Eck , Hugo Meekes , M. E. M. Piedade , Mateusz B. Pitak , Mike Podmore , Tobian A. H. de Ruiter , Leyla-Cann Sogutoglu , Rene R. E. Steendam , Terry Threlfall

Irreversible Magnetic Behaviour Caused by the Thermosalient Phenomenon in an Iron(III) Spin Crossover Complex
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, , 2976-2983 7 2018
Frederico F. Martins , Abhinav Joseph , H. P. Diogo , M. E. M. Piedade , Liliana P. Ferreira , Maria Deus Carvalho , Sonia Barroso , Maria Joao Romao , Maria Jose Calhorda , Paulo N. Martinho

A New Thermodynamically Favored Flubendazole/Maleic Acid Binary Crystal Form: Structure, Energetics, and in Silico PBPK Model-Based Investigation
CRYSTAL GROWTH \& DESIGN, 18, 2377-2386 4 2018
Gabriel L. B. de Araujo , Fabio Furlan Ferreira , Carlos E. S. Bernardes , Juliana A. P. Sato , Otavio M. Gil , Dalva L. A. de Faria , Raimar Loebenberg , Stephen R. Byrn , Daniela D. M. Ghisleni , Nadia A. Bou-Chacra , Terezinha J. A. Pinto , Selma G. Antonio , Humberto G. Ferraz , Dmitry Zemlyanov , Debora S. Goncalves , M. E. M. Piedade

Extraction Optimization and Structural and Thermal Characterization of the Antimicrobial Abietane 7 alpha-Acetoxy-6 beta-hydroxyroyleanone
MOLECULAR PHARMACEUTICS, 15, 1412-1419 4 2018
Carlos E. S. Bernardes , Catarina Garcia , Filipe Pereira , Joana Mota , P. Pereira , Maria J. Cebola , Catarina Pinto Reis , Isabel Correia , M.Fatima M.Piedade , M. E. M. Piedade , Patricia Rijo

Kinetics of the base catalysed hydrolysis of methyl paraben revisited: Implications for determination of the effective volume of flow-microcalorimeters used to study cell cultures
THERMOCHIMICA ACTA, 659, 82-88 1 2018
Rafael N. Bento , Miguel A. Rendas , Carlos E. S. Bernardes , M. Soledade C. S. Santos , F. J. N. Antunes , M. E. M. Piedade

Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions
MOLECULAR PHARMACEUTICS, 15, 5349-5360 11 2018
Ricardo G. Simoes , Carlos E. S. Bernardes , Abhinav Joseph , M.Fatima M.Piedade , Werner Kraus , Franziska Emmerling , H. P. Diogo , M. E. M. Piedade

A new polymorph of 4 -hydroxyvalerophenone revealed by thermoanalytical and X-ray diffraction studies
EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS, 226, 849-855 4 2017
Catia S. D. Lopes , Carlos E. S. Bernardes , M.Fatima M.Piedade , H. P. Diogo , M. E. M. Piedade

Structure-property relationships in protic ionic liquids: a study of solvent-solvent and solvent-solute interactions
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 19, 28133-28138 11 2017
Joshua E. S. J. Reid , Carlos E. S. Bernardes , Filipe Agapito , F. Martins , Seishi Shimizu , M. E. M. Piedade , Adam J. Walker

Thermochemistry of 4-HOC6H4COR (R = H, CH3, C2H5, n-C3H7, n-C4H9, n-C5H11, and n-C6H13) compounds
JOURNAL OF CHEMICAL THERMODYNAMICS, 104, 281-287 1 2017
Catia S. D. Lopes , Filipe Agapito , Carlos E. S. Bernardes , M. E. M. Piedade

Structure-property relationships in protic ionic liquids: a thermochemical study
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 19, 19928-19936 8 2017
Joshua E. S. J. Reid , Filipe Agapito , Carlos E. S. Bernardes , F. Martins , Adam J. Walker , Seishi Shimizu , M. E. M. Piedade

Polymorphic Phase Transition in 4 -Hydroxyacetophenone: Equilibrium Temperature, Kinetic Barrier, and the Relative Stability of Z =1 and Z =2 Forms
CRYSTAL GROWTH \& DESIGN, 17, 1918-1932 4 2017
Abhinav Joseph , Carlos E. S. Bernardes , Anna I. Druzhinina , Raisa M. Varushchenko , Thi Yen Nguyen , Franziska Emmerling , Lina Yuan , Valerie Dupray , Gerard Coquerel , M. E. M. Piedade

The standard molar enthalpy of the base catalysed hydrolysis of methyl paraben revisited
JOURNAL OF CHEMICAL THERMODYNAMICS, 103, 176-180 12 2016
Rafael N. Bento , Miguel A. Rendas , Valdir A. R. Semedo , Carlos E. S. Bernardes , M. Soledade C. S. Santos , H. P. Diogo , F. J. N. Antunes , M. E. M. Piedade

Dynamic spin interchange in a tridentate Fe(III) Schiff-base compound
CHEMICAL SCIENCE, 7, 4251-4258 2016
Ana I. Vicente , Abhinav Joseph , Liliana P. Ferreira , Maria de Deus Carvalho , Vitor H. N. Rodrigues , Mathieu Duttine , H. P. Diogo , M. E. M. Piedade , Maria Jose Calhorda , Paulo N. Martinho

Structural and energetic characterization of anhydrous and hemihydrated 2-mercaptoimidazole: Calorimetric, X-ray diffraction, and computational studies
JOURNAL OF CHEMICAL THERMODYNAMICS, 95, 35-48 4 2016
Ana L. R. Silva , Victor M. F. Morais , Maria D. M. C. Ribeiro da Silva , R. A. G. Simões , Carlos E. S. Bernardes , M.Fatima M.Piedade , M. E. M. Piedade

A high loaded cationic nanoemulsion for quercetin delivery obtained by sub-PIT method
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 489, 256-264 1 2016
Michelli F. Dario , M. Soledade C. S. Santos , A. Viana , Elizabeth P. G. Areas , Nadia A. Bou-Chacra , M. Conceição Oliveira , M. E. M. Piedade , Andre R. Baby , Maria Valeria R. Velasco

Stability and safety of quercetin-loaded cationic nanoemulsion: In vitro and in vivo assessments
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 506, 591-599 10 2016
Michelli F. Dario , Camila A. Oliveira , Lorena R. G. Cordeiro , Catarina Rosado , Ines de Fatima A. Mariz , Ermelinda Macoas , M. Soledade C. S. Santos , M. E. M. Piedade , Andre R. Baby , M. Valeria R. Velasco

Kinetics and Mechanism of the Thermal Dehydration of a Robust and Yet Metastable Hemihydrate of 4-Hydroxynicotinic Acid
CRYSTAL GROWTH \& DESIGN, 15, 3511-3524 7 2015
Abhinav Joseph , Carlos E. S. Bernardes , A. Viana , M.Fatima M.Piedade , M. E. M. Piedade

Thermochemistry of 1-alkylimidazoles
JOURNAL OF CHEMICAL THERMODYNAMICS, 80, 59-64 1 2015
Joana Vitorino , Filipe Agapito , Carlos E. S. Bernardes , M. E. M. Piedade

Gas-Phase Affinity Scales for Typical Ionic Liquid Moieties Determined by using Cooks Kinetic Method
CHEMPHYSCHEM, 16, 1969-1977 6 2015
Joana Vitorino , João P. Leal , M. E. M. Piedade