
GFMUL
members
Benedito José Costa Cabral
Departamento de Química e Bioquímica da Faculdade de Ciências da
Universidade de Lisboa and
Grupo
de Física Matemática da Universidade de Lisboa
Scientific interests
- Ab Initio Molecular Dynamics
- Density Functional Theory
- Path Integrals and Quantum Monte Carlo
- Dynamics of Complex Systems
- Theoretical Chemistry
- Statistical Physics
Some publications
- "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 (2003).
- ""The hydration of the OH radical: microsolvation modeling
and statistical mechanics simulation", P. C. do Couto,
R. C. Guedes, B. J. Costa Cabral, and J. A. Martinho Simões,
Journal of Chemical Physics, 119,
7344-7356 (2003).
- "Electronic polarization of liquid water: converged Monte Carlo-
Quantum Mechanics results for the multipole moments",
K. Coutinho, R. C Guedes, B. J. Costa Cabral, and Sylvio Canuto
Chemical Physics Letters 369,
345 (2003).
- "Differential hydration of phenol and phenoxy radical
and the energetics of the phenol O-H in solution"
R. C. Guedes, K. Coutinho, B. J. Costa Cabral, and S. Canuto,
Journal of Physical Chemistry B, 107,
4304-4310 (2003).
- "Solvent effects on the energetics of the phenol O-H
bond: differential solvation of phenol and phenoxy radical
in benzene and acetonitrile"
R. C. Guedes, K. Coutinho, B. J. Costa Cabral, S. Canuto,
C. F. Correia, R. M. Borges dos Santos, J. A. Martinho Simões
Journal of Physical Chemistry A, 107,
9197-9207 (2003).
- "Metastability, negative specific heat and weak mixing
in classical long-range many rotator system"
B. J. Costa Cabral and C. Tsallis
Physical Review E, 66,
065101-065104(R) (2002).
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 4728 (internal: 4128)
· Fax: +351 21 795 4288
· Email:
ben@adonis.cii.fc.ul.pt
English version
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Last modified: Mon Feb 10 18:04:32 WET 2003