Browsing by Author Varandas, A. J. C.


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Issue DateTitleAuthor(s)TypeAccess
14-Oct-2004Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces: The Role of Vibrational ExcitationSilveira, Dora M. ; Caridade, Pedro J. S. B. ; Varandas, António J. C. articleopenAccess
12-Dec-2002Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally ExcitedZhang, L. ; Varandas, A. J. C. articleopenAccess
15-Nov-2001Dynamics Study of the O2(v) + HO2 Atmospheric ReactionZhang, Lei ; Varandas, António J. C. articleopenAccess
10-May-2001Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 2. Influence of Reactants Internal Energy in HO2 and O3 FormationCaridade, P. J. S. B. ; Zhang, L. ; Garrido, J. D. ; Varandas, A. J. C. articleopenAccess
9-Aug-2001Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited ReactantsCaridade, P. J. S. B. ; Betancourt, M. ; Garrido, J. D. ; Varandas, A. J. C. articleopenAccess
30-May-2002Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 4. Influence of Vibrational Relaxation in Collisions Involving Highly Excited SpeciesGarrido, J. D. ; Caridade, P. J. S. B. ; Varandas, A. J. C. articleopenAccess
28-Dec-2006Dynamics Study of the OH + O3 Atmospheric Reaction with Both Reactants Vibrationally ExcitedZhang, Lei ; Luo, Pingya ; Huang, Zhiyu ; Varandas, António J. C. articleopenAccess
30-Jul-1998Dynamics Study of the Reaction Ar + HCN → Ar + H + CNRodrigues, S. P. J. ; Varandas, A. J. C. articleopenAccess
17-Jul-2003Dynamics Study of the Reaction S + O2 → SO + O and Its Reverse on a Single-Valued Double Many-Body Expansion Potential Energy Surface for Ground-State SO2Rodrigues, S. P. J. ; Varandas, A. J. C. articleopenAccess
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