| Structure and aggregation in the 1-alkyl-3-methylimidazolium bis (trifluoromethylsulfonyl) imide ionic liquid homologous series K Shimizu, CES Bernardes, JN Canongia Lopes The Journal of Physical Chemistry B 118 (2), 567-576, 2014 | 249 | 2014 |
| The structure of aqueous solutions of a hydrophilic ionic liquid: The full concentration range of 1-ethyl-3-methylimidazolium ethylsulfate and water CES Bernardes, ME Minas da Piedade, JN Canongia Lopes The Journal of Physical Chemistry B 115 (9), 2067-2074, 2011 | 160 | 2011 |
| Nano-segregation in ionic liquids: scorpions and vanishing chains K Shimizu, CES Bernardes, A Triolo, JNC Lopes Physical Chemistry Chemical Physics 15 (38), 16256-16262, 2013 | 133 | 2013 |
| Inorganic salts in purely ionic liquid media: the development of high ionicity ionic liquids (HIILs) AB Pereiro, JMM Araújo, FS Oliveira, CES Bernardes, JMSS Esperança, ... Chemical communications 48 (30), 3656-3658, 2012 | 100 | 2012 |
| Mutual Solubility of Water and Structural/Positional Isomers of N-Alkylpyridinium-Based Ionic Liquids MG Freire, CMSS Neves, K Shimizu, CES Bernardes, IM Marrucho, ... The Journal of Physical Chemistry B 114 (48), 15925-15934, 2010 | 91 | 2010 |
| Evaluation of the OPLS-AA force field for the study of structural and energetic aspects of molecular organic crystals CES Bernardes, A Joseph The Journal of Physical Chemistry A 119 (12), 3023-3034, 2015 | 72 | 2015 |
| Structure and aggregation in the 1, 3-dialkyl-imidazolium bis (trifluoromethylsulfonyl) imide ionic liquid family: 2. From single to double long alkyl side chains CES Bernardes, K Shimizu, AIMC Lobo Ferreira, LM Santos, ... The Journal of Physical Chemistry B 118 (24), 6885-6895, 2014 | 70 | 2014 |
| Comparative study of Al-MCM materials prepared at room temperature with different aluminium sources and by some hydrothermal methods MMLR Carrott, FL Conceição, JM Lopes, PJM Carrott, C Bernardes, ... Microporous and mesoporous materials 92 (1-3), 270-285, 2006 | 65 | 2006 |
| Ionic liquids with anions based on fluorosulfonyl derivatives: from asymmetrical substitutions to a consistent force field model ASL Gouveia, CES Bernardes, LC Tomé, EI Lozinskaya, YS Vygodskii, ... Physical Chemistry Chemical Physics 19 (43), 29617-29624, 2017 | 60 | 2017 |
| A new calorimetric system to measure heat capacities of solids by the drop method CES Bernardes, LM Santos, MEM da Piedade Measurement Science and Technology 17 (6), 1405, 2006 | 54 | 2006 |
| AGGREGATES: Finding structures in simulation results of solutions CES Bernardes Journal of computational chemistry 38 (10), 753-765, 2017 | 51 | 2017 |
| Polymorphism in 4′-hydroxyacetophenone: Structure and Energetics CES Bernardes, MFM Piedade, MEM Piedade Crystal Growth and Design 8 (7), 2419-2430, 2008 | 51 | 2008 |
| Energetics and structure of nicotinic acid (niacin) EM Gonçalves, CES Bernardes, HP Diogo, ME Minas da Piedade The Journal of Physical Chemistry B 114 (16), 5475-5485, 2010 | 50 | 2010 |
| Additive polarizabilities in ionic liquids CES Bernardes, K Shimizu, JNC Lopes, P Marquetand, E Heid, ... Physical Chemistry Chemical Physics 18 (3), 1665-1670, 2016 | 45 | 2016 |
| Polymorphic Phase Transition in 4′-Hydroxyacetophenone: Equilibrium Temperature, Kinetic Barrier, and the Relative Stability of Z′ = 1 and Z′ = 2 Forms A Joseph, CES Bernardes, AI Druzhinina, RM Varushchenko, TY Nguyen, ... Crystal Growth & Design 17 (4), 1918-1932, 2017 | 43 | 2017 |
| 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 … CES Bernardes, JN Canongia Lopes, MEM da Piedade The Journal of Physical Chemistry A 117 (43), 11107-11113, 2013 | 39 | 2013 |
| Structure–property relationships in protic ionic liquids: a study of solvent–solvent and solvent–solute interactions JESJ Reid, CES Bernardes, F Agapito, F Martins, S Shimizu, ... Physical Chemistry Chemical Physics 19 (41), 28133-28138, 2017 | 36 | 2017 |
| 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, CES Bernardes, MEM da Piedade The Journal of Chemical Thermodynamics 55, 23-28, 2012 | 33 | 2012 |
| 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 … CES Bernardes, ME Minas da Piedade The Journal of Physical Chemistry A 112 (40), 10029-10039, 2008 | 33 | 2008 |
| Energetics of cresols and of methylphenoxyl radicals LS Richard, CES Bernardes, HP Diogo, JP Leal, ME Minas da Piedade The Journal of Physical Chemistry A 111 (35), 8741-8748, 2007 | 31 | 2007 |
Manuel E. Minas da PiedadeCentro de Química e Bioquímica, Institute of Molecular Science, Departamento de Química e BioquímicaVerified email at fc.ul.pt
