
Member of the Mathematical
Physics Group
of the University of Lisbon.
Scientific interests
- Density Functional Theory
Some publications
- “Polarization Effects and Charge Separation in AgCl-Water
Clusters”, S.S.M.C. Godinho, P. Cabral do Couto, and B.J. Costa Cabral,
Journal of Chemical Physics 122, 044316
(2005). abs
- "Charge Separation and Charge Transfer to Solvent (CTTS) in
NaCl-Water Clusters", S.S.M.C. Godinho, P. Cabral do Couto, and B.J.
Costa Cabral, Chemical Physics Letters 399, 200 (2004). abs
- "The Energetics of the
Intramolecular Hydrogen Bonding in di-Substituted Benzene by the ortho-para Method”, S.G.
Estácio, P. Cabral do Couto, B.J. Costa Cabral, Manuel E. Minas da
Piedade,
J. A. Martinho Simões, Journal of
Physical Chemistry A 108,
10834 (2004). abs
- "Homolytic Dissociation in Hydrogen-Bonding Liquids:
Energetics of the Phenol O-H Bond in Methanol and the Water O-H Bond
in Water", S.G. Estácio, P. Cabral do Couto, R.C. Guedes,
B. J. Costa Cabral, J. A. Martinho
Simões, Theoretical
Chemistry
Accounts 112, 282
(2004). abs
- "The Density of States and Band Gap of Liquid Water by Sequential
Monte Carlo / Quantum Mechanics Simulation",
P. Cabral do Couto, R.C. Guedes, B.J. Costa Cabral, Brazilian
Journal of Physics 34,
42-47 (2004). pdf
- "The Hydration of the OH Radical: Microsolvation Modeling and
Statistical Mechanics Simulation",
P. Cabral do Couto, R.C. Guedes, B.J. Costa Cabral, and J.A. Martinho
Simões, Journal of Chemical Physics, 119,
7344-7356 (2003). abs
- "Binding Energy, Structure, and Vibrational Spectra of (HCl)2-6
and (HF)2-10 Clusters by Density
Functional Theory",
R.C. Guedes, P.C. do Couto, and B.J. Costa Cabral, Journal of
Chemical Physics 118,
1272-1281 (2003). abs
- "Phenol O-H Bond Dissociation Energy in Water Clusters",
P. Cabral do Couto, R.C. Guedes, B.J. Costa Cabral, J.A. Martinho
Simões, International Journal of Quantum Chemistry 86,
297-304 (2002). abs
Contact information
At the Interdisciplinary Complex
of the University of Lisbon:
Grupo de
Física-Matemática da Universidade de
Lisboa
Av. Prof. Gama Pinto, 2
P-1699 Lisboa Codex
Portugal
· Tel: +351 21 790 4990 (internal: 4390)
· Fax: +351 21 795 4288
· Email: pcouto@alf1.cii.fc.ul.pt
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Last modified: Mon Feb 10 18:04:32 WET 2003