| 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 | 104 | 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 | 97 | 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 | 80 | 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 | 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 | 42 | 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 | 32 | 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 | 29 | 2015 |
| 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 |
| 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 | 26 | 2004 |
| 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 |
| 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 | 24 | 2006 |
| 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 | 17 | 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 Lisboa在 cii.fc.ul.pt 的电子邮件经过验证
