Energetics of Intramolecular Hydrogen Bonding in Di-substituted Benzenes by the ortho-para Method SG Estácio, PC do Couto, BJC Cabral, MEM da Piedade, JAM Simões
The Journal of Physical Chemistry A 108 (49), 10834-10843, 2004
105 2004 The hydration of the OH radical: Microsolvation modeling and statistical mechanics simulation PC do Couto, RC Guedes, BJC Cabral, JAM Simoes
The Journal of chemical physics 119, 7344, 2003
98 2003 The Kohn-Sham density of states and band gap of water: From small clusters to liquid water PC do Couto, SG Estácio, BJC Cabral
The Journal of chemical physics 123, 054510, 2005
84 2005 Binding energy, structure, and vibrational spectra of RC Guedes, PC Do Couto, BJ Costa Cabral
The Journal of chemical physics 118 (3), 1272-1281, 2003
52 2003 An all-atom force field for metallocenes JNC Lopes, PC do Couto, MEM da Piedade
The Journal of Physical Chemistry A 110 (51), 13850-13856, 2006
44 2006 Polarization effects and charge separation in AgCl-water clusters S Godinho, PC do Couto, BJC Cabral
The Journal of chemical physics 122, 044316, 2005
33 2005 On the performance of optimally tuned range-separated hybrid functionals for x-ray absorption modeling P Cabral do Couto, D Hollas, P Slavicek
Journal of Chemical Theory and Computation 11 (7), 3234-3244, 2015
30 2015 The density of states and band gap of liquid water by sequential Monte Carlo/Quantum mechanics calculations P Couto, RC Guedes, BJ Cabral
Brazilian journal of physics 34, 42-47, 2004
27 2004 Insights into the ultraviolet spectrum of liquid water from model calculations: The different roles of donor and acceptor hydrogen bonds in water pentamers P Cabral do Couto, DM Chipman
The Journal of Chemical Physics 137 (18), 2012
26 2012 Electron binding energies of water clusters: Implications for the electronic properties of liquid water PC do Couto, BJ Costa Cabral, S Canuto
Chemical physics letters 429 (1), 129-135, 2006
26 2006 S–H bond dissociation enthalpies: The importance of a complete basis set approach PC do Couto, BJC Cabral, JAM Simoes
Chemical physics letters 421 (4-6), 504-507, 2006
26 2006 Electronically excited water aggregates and the adiabatic band gap of water PC Do Couto, BJC Cabral
Journal of Chemical Physics 126 (1), 14509, 2007
25 2007 Insights into the ultraviolet spectrum of liquid water from model calculations PC do Couto, DM Chipman
The Journal of chemical physics 132, 244307, 2010
24 2010 Phenol O–H bond dissociation energy in water clusters P Cabral do Couto, RC Guedes, BJ Costa Cabral, JA Martinho Simoes
International journal of quantum chemistry 86 (3), 297-304, 2002
22 2002 Charge separation and charge transfer to solvent in NaCl–water clusters S Godinho, PC do Couto, BJ Cabral
Chemical physics letters 399 (1), 200-205, 2004
21 2004 Photochemistry of AgCl–water clusters: Comparison with Cl−–water clusters S Godinho, PC do Couto, BJC Cabral
Chemical physics letters 419 (4-6), 340-345, 2006
18 2006 The enthalpy of formation of the pentane-2, 4-dionate radical: A complete basis set approach PC do Couto, BJC Cabral, JAM Simões
Chemical physics letters 419 (4-6), 486-491, 2006
15 2006 Properties, Dynamics, and Electronic Structure of Atoms and Molecules-Phenol OH Bond Dissociation Energy in Water Clusters Published online 02 October 2001 PCD Couto, RC Guedes, BJC Cabral, JAM Simoes
International Journal of Quantum Chemistry 86 (3), 297-304, 2002
11 2002 How does dielectric solvation affect the size of an ion? PC Couto, DM Chipman
The Journal of Physical Chemistry A 114 (48), 12788-12793, 2010
10 2010 Homolytic dissociation in hydrogen-bonding liquids: energetics of the phenol O–H bond in methanol and the water O–H bond in water SG Estacio, PC Couto, RC Guedes, BJC Cabral, JAM Simões
Theoretical Chemistry Accounts 112, 282-289, 2004
8 2004 
Benedito CabralUniversidade de LisboaVerified email at cii.fc.ul.pt
