Seguir
Benedito  Cabral
Benedito Cabral
Dirección de correo verificada de cii.fc.ul.pt
Título
Citado por
Citado por
Año
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
1611996
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
1081999
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
902004
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
882003
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
872003
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
782002
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), 054510, 2005
742005
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
662001
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
661986
Structure, conformational equilibrium, and proton affinity of calix [4] arene by density functional theory
BJCC RJ Bernardino
The Journal of Physical Chemistry A, 1999
591999
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
512005
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
512003
First principles molecular dynamics of molten NaCl
N Galamba, BJ Costa Cabral
The Journal of chemical physics 126 (12), 124502, 2007
492007
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
482002
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
482001
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
472003
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
452005
Thermochemical Properties and Structure of Phenol−(H2O)1-6 and Phenoxy−(H2O)1-4 by Density Functional Theory
RC Guedes, BJ Costa Cabral, JA Martinho Simoes, HP Diogo
The Journal of Physical Chemistry A 104 (25), 6062-6068, 2000
422000
Conformational equilibrium of 1,2‐dichloroethane in methylchloride. A Monte Carlo simulation of the differential gaucheanti solvation
B Bigot, BJ Costa‐Cabral, JL Rivail
The Journal of chemical physics 83 (6), 3083-3094, 1985
421985
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
412003
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
Artículos 1–20