| 1 |
A force field for MD simulations on rhenium organometallic compounds developed from enthalpy of sublimation and X-ray diffraction measurements
Bernardes CES, Donato MT, Piedade MFM, Diogo HP, Lopes JNC, da Piedade MEM
Journal of Chemical Thermodynamics, 133, 60, 2019 |
| 2 |
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
Bento RN, Rendas MA, Bernardes CES, Santos MSCS, Antunes F, da Piedade MEM
Thermochimica Acta, 659, 82, 2018 |
| 3 |
Thermochemistry of 4-HOC6H4COR (R = H, CH3, C2H5, n-C3H7, n-C4H9, n-C5H11, and n-C6H13) compounds
Lopes CSD, Agapito F, Bernardes CES, da Piedade MEM
Journal of Chemical Thermodynamics, 104, 281, 2017 |
| 4 |
Structural and energetic characterization of anhydrous and hemihydrated 2-mercaptoimidazole: Calorimetric, X-ray diffraction, and computational studies
Silva ALR, Morais VMF, da Silva MDMCR, Simoes RG, Bernardes CES, Piedade MFM, da Piedade MEM
Journal of Chemical Thermodynamics, 95, 35, 2016 |
| 5 |
The standard molar enthalpy of the base catalysed hydrolysis of methyl paraben revisited
Bento RN, Rendas MA, Semedo VAR, Bernardes CES, Santos MSCS, Diogo HP, Antunes F, da Piedade MEM
Journal of Chemical Thermodynamics, 103, 176, 2016 |
| 6 |
Thermochemistry of 1-alkylimidazoles
Vitorino J, Agapito F, Bernardes CES, da Piedade MEM
Journal of Chemical Thermodynamics, 80, 59, 2015 |
| 7 |
Thermochemistry of 2,2,5,7,8-pentamethylchroman-6-ol (PMC) and 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid (trolox)
Bernardes CES, Simoes RG, Diogo HP, da Piedade MEM
Journal of Chemical Thermodynamics, 73, 140, 2014 |
| 8 |
Thermochemistry of 1,1,3,3-tetramethylguanidine and 1,1,3,3-tetramethylguanidinium nitrate
Vitorino J, Agapito F, Piedade MFM, Bernardes CES, Diogo HP, Leal JP, da Piedade MEM
Journal of Chemical Thermodynamics, 77, 179, 2014 |
| 9 |
Enthalpy of Formation of Anisole: Implications for the Controversy on the O-H Bond Dissociation Enthalpy in Phenol
Simoes RG, Agapito F, Diogo HP, da Piedade MEM
Journal of Physical Chemistry A, 118(46), 11026, 2014 |
| 10 |
All-Atom Force Field for Molecular Dynamics Simulations on Organotransition Metal Solids and Liquids. Application to M(CO)(n) (M = Cr, Fe, Ni, Mo, Ru, or W) Compounds
Bernardes CES, Lopes JNC, da Piedade MEM
Journal of Physical Chemistry A, 117(43), 11107, 2013 |
