P. Cabral do Couto

Energetics of Intramolecular Hydrogen Bonding in Di-substituted Benzenes by the ortho−para Method

Sílvia G. Estácio, P. Cabral do Couto, Benedito J. Costa Cabral et al. · The Journal of Physical Chemistry A · 2004 · 103 citations

Engineering, Organic Chemistry, Computational Chemistry +19

The hydration of the OH radical: Microsolvation modeling and statistical mechanics simulation

P. Cabral do Couto, Rita C. Guedes, Benedito J. Costa Cabral et al. · The Journal of Chemical Physics · 2003 · 82 citations

Engineering, Statistical Mechanics Simulation, Computational Chemistry +22

The Kohn-Sham density of states and band gap of water: From small clusters to liquid water

P. Cabral do Couto, Sílvia G. Estácio, Benedito J. Costa Cabral · The Journal of Chemical Physics · 2005 · 65 citations

Binding energy, structure, and vibrational spectra of (HCl)2–6 and (HF)2–10 clusters by density functional theory

Rita C. Guedes, P. Cabral do Couto, Benedito J. Costa Cabral · The Journal of Chemical Physics · 2003 · 49 citations

Engineering, Computational Chemistry, Chemistry +16

An All-Atom Force Field for Metallocenes

José N. Canongia Lopes, P. Cabral do Couto, Manuel E. Minas da Piedade · The Journal of Physical Chemistry A · 2006 · 46 citations

Engineering, Computational Chemistry, Chemistry +17