Elementos do GFMUL
Paulo Cabral do Couto

Membro do Grupo de Física Matemática da Universidade de Lisboa.

Interesses Científicos

• Teoria Hartree-Fock

• Teoria do Funcional de Densidade
  

Publicações mais recentes

• “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 and B.J. Costa Cabral, J.A. Martinho Simões, International Journal of Quantum Chemistry 86, 297-304 (2002). abs

Informações para contacto

No Complexo Interdisciplinar da Universidade de Lisboa:

URL: http://gfm.cii.fc.ul.pt/gfm/Members/PCC.pt_PT.html
Last modified: Mon Feb 10 18:04:32 WET 2003