| Quadrupole polarization in simulations of ionic systems: application to AgCl M Wilson, PA Madden, BJ Costa-Cabral the Journal of Physical Chemistry 100 (4), 1227-1237, 1996 | 162 | 1996 |
| Substituent effects on the O–H bond dissociation enthalpies in phenolic compounds: agreements and controversies+ erratum MM Bizarro, BJC Cabral, RMB Dos Santos, JAM Simões Pure and Applied Chemistry 71 (7), 1249-1256, 1999 | 117 | 1999 |
| Energetics of Intramolecular Hydrogen Bonding in Di-substituted Benzenes by the ortho− para Method SG Estácio, P Cabral do Couto, BJ Costa Cabral, ME Minas da Piedade, ... The Journal of Physical Chemistry A 108 (49), 10834-10843, 2004 | 102 | 2004 |
| The hydration of the OH radical: Microsolvation modeling and statistical mechanics simulation P Cabral do Couto, RC Guedes, BJ Costa Cabral, JA Martinho Simoes The Journal of chemical physics 119 (14), 7344-7355, 2003 | 97 | 2003 |
| Electronic polarization of liquid water: converged Monte Carlo-quantum mechanics results for the multipole moments K Coutinho, RC Guedes, BJC Cabral, S Canuto Chemical physics letters 369 (3-4), 345-353, 2003 | 89 | 2003 |
| S− H bond dissociation enthalpies in thiophenols: a time-resolved photoacoustic calorimetry and quantum chemistry study RM Borges dos Santos, VSF Muralha, CF Correia, RC Guedes, ... The Journal of Physical Chemistry A 106 (42), 9883-9889, 2002 | 80 | 2002 |
| The Kohn-Sham density of states and band gap of water: From small clusters to liquid water P Cabral do Couto, SG Estácio, BJ Costa Cabral The Journal of chemical physics 123 (5), 2005 | 79 | 2005 |
| Structure and conformational equilibrium of thiacalix [4] arene by density functional theory RJ Bernardino, BJC Cabral Journal of Molecular Structure: THEOCHEM 549 (3), 253-260, 2001 | 73 | 2001 |
| Influence of dispersion forces on the electronic structure of a solvated molecule D Rinaldi, BJC Cabral, JL Rivail Chemical physics letters 125 (5-6), 495-499, 1986 | 66 | 1986 |
| Structure, conformational equilibrium, and proton affinity of calix [4] arene by density functional theory BJCC RJ Bernardino The Journal of Physical Chemistry A, 1999 | 62 | 1999 |
| First principles molecular dynamics of molten NaCl N Galamba, BJ Costa Cabral The Journal of chemical physics 126 (12), 2007 | 56 | 2007 |
| Electronic polarization in liquid acetonitrile: A sequential Monte Carlo/quantum mechanics investigation R Rivelino, BJC Cabral, K Coutinho, S Canuto Chemical physics letters 407 (1-3), 13-17, 2005 | 53 | 2005 |
| Binding energy, structure, and vibrational spectra of and clusters by density functional theory RC Guedes, PC Do Couto, BJ Costa Cabral The Journal of chemical physics 118 (3), 1272-1281, 2003 | 53 | 2003 |
| Hydrogen bonding and the dipole moment of hydrofluorocarbons by density functional theory BJC Cabral, RC Guedes, RS Pai-Panandiker, CAN de Castro Physical Chemistry Chemical Physics 3 (19), 4200-4207, 2001 | 53 | 2001 |
| Solvent Effects on the Energetics of the Phenol O− H Bond: Differential Solvation of Phenol and Phenoxy Radical in Benzene and Acetonitrile RC Guedes, K Coutinho, BJ Costa Cabral, S Canuto, CF Correia, ... The Journal of Physical Chemistry A 107 (43), 9197-9207, 2003 | 50 | 2003 |
| The enthalpy of the O–H bond homolytic dissociation: Basis-set extrapolated density functional theory and coupled cluster calculations BJC Cabral, S Canuto Chemical physics letters 406 (4-6), 300-305, 2005 | 48 | 2005 |
| Complexation of calix [4] arene with alkali metal cations: Conformational binding selectivity and cation-π driven inclusion RJ Bernardino, BJ Costa Cabral Supramolecular Chemistry 14 (1), 57-66, 2002 | 48 | 2002 |
| Differential hydration of phenol and phenoxy radical and the energetics of the phenol O− H bond in solution RC Guedes, K Coutinho, BJ Costa Cabral, S Canuto The Journal of Physical Chemistry B 107 (18), 4304-4310, 2003 | 47 | 2003 |
| Conformational equilibrium of 1,2‐dichloroethane in methylchloride. A Monte Carlo simulation of the differential gauche–anti solvation B Bigot, BJ Costa‐Cabral, JL Rivail The Journal of chemical physics 83 (6), 3083-3094, 1985 | 44 | 1985 |
| Energetics of hydroxybenzoic acids and of the corresponding carboxyphenoxyl radicals. Intramolecular hydrogen bonding in 2-hydroxybenzoic acid SS Pinto, HP Diogo, RC Guedes, BJ Costa Cabral, ME Minas da Piedade, ... The Journal of Physical Chemistry A 109 (42), 9700-9708, 2005 | 42 | 2005 |
Sylvio CanutoInstituto de Física, Universidade de São PauloVerified email at if.usp.br
