Browsing by Author Varandas, António Joaquim de Campos

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Issue DateTitleAuthor(s)TypeAccess
1998Energy switching potential energy surfaces and spectra of the van der Waals modes for the ArHCN moleculeVarandas, A. J. C. ; Rodrigues, S. P. J. ; Gomes, P. A. J. articleopenAccess
2002Existence of strictly diabatic basis sets for the two-state problemKryachko, Eugene S. ; Varandas, António J. C. articleopenAccess
Jul-1992Exponentiating trajectories on a realistic potentil energy surface for sodium trimeraMorais, V. M. F. ; Varandas, A. J. C. articleopenAccess
2006Extrapolating potential energy surfaces by scaling electron correlation at a single geometryVarandas, A. J. C. ; Piecuch, P. articleopenAccess
16-Oct-2008Extrapolating to the One-Electron Basis Set Limit in Polarizability CalculationsJunqueira, G. M. A. ; Varandas, A. J. C. articleopenAccess
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
2003Forbidden transitions in benzeneBorges, I. ; Varandas, A. J. C. ; Rocha, A. B. ; Bielschowsky, C. E. articleopenAccess
28-Feb-2008Generalized Uniform Singlet- and Triplet-Pair Extrapolation of the Correlation Energy to the One Electron Basis Set LimitVarandas, A. J. C. articleopenAccess
2004Geometric phase effect at N-fold electronic degeneracies in Jahn-Teller systemsVarandas, A. J. C. ; Xu, Z. R. articleopenAccess
18-Oct-2007HN2(2A‘) Electronic Manifold. I. A Global ab Initio Study of First Two StatesMota, Vinícius C. ; Varandas, António J. C. articleopenAccess
24-Apr-2008HN2(2A‘) Electronic Manifold. II. Ab Initio Based Double-Sheeted DMBE Potential Energy Surface via a Global Diabatization AngleMota, Vinícius C. ; Varandas, António J. C. articleopenAccess
2013Implications of the O + OH reaction in hydroxyl nightglow modelingCaridade, P. J. S. B. ; Horta, J.-Z. J. ; Varandas, A. J. C. articleopenAccess
2000Is there a barrier for the C2v insertion reaction in O(1D)+H2? A test dynamics study based on two-valued energy-switching potential energy surfacesVarandas, A. J. C. ; Voronin, A. I. ; Caridade, P. J. S. B. ; Riganelli, A. articleopenAccess
2007Kinetics and dynamics of O + OClO reaction in a modified many-body expansion potential energy surface for ClO3Teixeira, O. B. M. ; Marques, J. M. C. ; Varandas, A. J. C. articleopenAccess
18-Apr-2002Li + Li2 Dissociation Reaction Using the Self-Consistent Potential and Trajectory Surface Hopping MethodsMarques, J. M. C. ; Voronin, A. I. ; Varandas, A. J. C. articleopenAccess
2013Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiFMeng, Qing-Tian ; Varandas, A. J. C. articleopenAccess
16-Dec-1999Mode Specificity Study in Unimolecular Dissociation of Nonrotating H2O, DHO, and MuHO MoleculesLlanio-Trujillo, J. L. ; Marques, J. M. C. ; Varandas, A. J. C. articleopenAccess
14-Oct-1999Monte Carlo Simulation Approach to Internal Partition Functions for van der Waals MoleculesRiganelli, A. ; Wang, W. ; 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
2008Møller-Plesset perturbation energies and distances for HeC20extrapolated to the complete basis set limitVarandas, A. J. C. articleopenAccess