Additive polarizabilities in ionic liquids
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18, 1665-1670 1 2016
Carlos E. S. Bernardes , Karina Shimizu , José Nuno Canongia Lopes , Philipp Marquetand , Esther Heid , Othmar Steinhauser , Christian Schroeder

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

Evaluation of the OPLS-AA Force Field for the Study of Structural and Energetic Aspects of Molecular Organic Crystals
JOURNAL OF PHYSICAL CHEMISTRY A, 119, 3023-3034 3 2015
Carlos E. S. Bernardes , Abhinav Joseph

Modeling the structure and thermodynamics of ferrocenium-based ionic liquids
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17, 10200-10208 2015
Carlos E. S. Bernardes , Tomoyuki Mochida , José Nuno Canongia Lopes

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

Solvent effects on the polar network of ionic liquid solutions
JOURNAL OF PHYSICS-CONDENSED MATTER, 27, 5 2015
Carlos E. S. Bernardes , Karina Shimizu , José Nuno Canongia Lopes

Size Matters: An Experimental and Computational Study of the Influence of Particle Size on the Lattice Energy of NaCl
JOURNAL OF PHYSICAL CHEMISTRY C, 119, 4387-4396 2 2015
Sven Range , Carlos E. S. Bernardes , R. A. G. Simões , Matthias Epple , M. E. M. Piedade

Thermochemistry of 2,2,5,7,8-pentamethylchroman-6-ol (PMC) and 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid (trolox)
JOURNAL OF CHEMICAL THERMODYNAMICS, 73, 140-147 6 2014
Carlos E. S. Bernardes , R. A. G. Simões , H. P. Diogo , M. E. M. Piedade

Thermal Stability of Simvastatin under Different Atmospheres
JOURNAL OF PHARMACEUTICAL SCIENCES, 103, 241-248 1 2014
R. A. G. Simões , H. P. Diogo , Ana Dias , M. Conceição Oliveira , Carlos Cordeiro , Carlos E. S. Bernardes , M. E. M. Piedade

Polymorphism in 4 -hydroxyacetophenone: A vibrational analysis
JOURNAL OF MOLECULAR STRUCTURE, 1078, 181-187 12 2014
Carlos E. S. Bernardes , Laura M. Ilharco , M. E. M. Piedade

From Molecules to Crystals: The Solvent Plays an Active Role Throughout the Nucleation Pathway of Molecular Organic Crystals
CRYSTAL GROWTH \& DESIGN, 14, 5436-5441 11 2014
Carlos E. S. Bernardes , Manuel L S Matos Lopes , José do Rosário Ascenso , M. E. M. Piedade

Structure and Aggregation in the 1,3-Dialkyl-imidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Family: 2. From Single to Double Long Alkyl Side Chains
JOURNAL OF PHYSICAL CHEMISTRY B, 118, 6885-6895 6 2014
Carlos E. S. Bernardes , Karina Shimizu , Ana I. M. C. Lobo Ferreira , Luis M. N. B. F. Santos , José Nuno Canongia Lopes

Structure and Aggregation in the 1-Alkyl-3-Methylimidazolium Bis(trifluoromethylsulfonyl)imide Ionic Liquid Homologous Series
JOURNAL OF PHYSICAL CHEMISTRY B, 118, 567-576 1 2014
Karina Shimizu , Carlos E. S. Bernardes , José Nuno Canongia Lopes

Thermochemistry of 1,1,3,3-tetramethylguanidine and 1,1,3,3-tetramethylguanidinium nitrate
JOURNAL OF CHEMICAL THERMODYNAMICS, 77, 179-189 10 2014
Joana Vitorino , Filipe Agapito , M.Fatima M.Piedade , Carlos E. S. Bernardes , H. P. Diogo , João P. Leal , M. E. M. Piedade

Probing the complex structure and properties of ionic liquids using MD simulations
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 248, 8 2014
José Nuno Canongia Lopes , Karina Shimizu , Carlos E. S. Bernardes , Luis Paulo N. Rebelo

The complex structure of ionic liquids at an atomistic level: from red-and-greens to charge templates
PURE AND APPLIED CHEMISTRY, 86, 119-133 2 2014
Karina Shimizu , Carlos E. S. Bernardes , José Nuno Canongia Lopes

Energetics and Structure of Simvastatin
MOLECULAR PHARMACEUTICS, 10, 2713-2722 7 2013
R. A. G. Simões , Carlos E. S. Bernardes , H. P. Diogo , Filipe Agapito , M. E. M. Piedade

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
JOURNAL OF PHYSICAL CHEMISTRY A, 117, 11107-11113 10 2013
Carlos E. S. Bernardes , José Nuno Canongia Lopes , M. E. M. Piedade

Polymorphism in 4-Hydroxybenzaldehyde: A Crystal Packing and Thermodynamic Study
CRYSTAL GROWTH \& DESIGN, 13, 2803-2814 7 2013
R. A. G. Simões , Carlos E. S. Bernardes , M. E. M. Piedade

High ionicity ionic liquids (HIILs): comparing the effect of ethylsulfonate and ethylsulfate anions
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 15, 18138-18147 2013
Filipe S. Oliveira , Ana B. Pereiro , Joao M. M. Araujo , Carlos E. S. Bernardes , José Nuno Canongia Lopes , Smilja Todorovic , Gabriel Feio , Pedro L. Almeida , Luis P. N. Rebelo , Isabel Marrucho