Browsing by Author Abreu, Paulo Eduardo Martins de Castro Neves de Abreu   

Results 1 to 8 of 8
Issue DateTitleAuthor(s)TypeAccess
Jul-2011Cálculos de estrutura electrónica de fosfitos quirais e seus complexos metálicos: Avaliação na reacção de hidrogenação catalíticaNeves, Ângela Cristina Barrôco masterThesisopenAccess
3-Sep-2009Conformational Studies of Poly(9,9-dialkylfluorene)s in Solution Using NMR Spectroscopy and Density Functional Theory CalculationsJustino, Licínia L. G. ; Ramos, M. Luísa ; Abreu, Paulo E. ; Carvalho, Rui A. ; Sobral, Abílio J. F. N. ; Scherf, Ullrich ; Burrows, Hugh D. articleopenAccess
2005Estudos sobre superfícies de energia potencial e dinâmica directa de reacções químicas elementares.Abreu, Paulo Eduardo Martins C. Neves de doctoralThesisembargoedAccess
5-May-2000First principles calculation of the potential energy surface for the lowest-quartet state of H3 and modelling by the double many-body expansion methodAbreu, P. E. ; Varandas, A. J. C. articleopenAccess
20-Jul-2000MRCI Calculation, Scaling of the External Correlation, and Modeling of Potential Energy Curves for HCl and OClPeña-Gallego, A. ; Abreu, P. E. ; Varandas, A. J. C. articleopenAccess
1998Quasi-ab initio dynamics: a test trajectory study of the reaction using energies and gradients based on scaling of the external correlationVarandas, A. J. C. ; Abreu, P. E. articleopenAccess
14-Apr-2009Structure Dependence of Hyperpolarizability in Octopolar MoleculesCardoso, C. ; Abreu, P. E. ; Nogueira, F. articleopenAccess
26-Jun-1997Toward a Single-Valued DMBE Potential Energy Surface for CHNO(3A). 1. Diatomic FragmentsJimeno, P. ; Rayez, J. C. ; Abreu, P. E. ; Varandas, A. J. C. articleopenAccess