Browsing by Author Varandas, António Joaquim de Campos

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Issue DateTitleAuthor(s)TypeAccess
20-Nov-1997Quantum Dynamical Rate Constant for the H + O3 Reaction Using a Six-Dimensional Double Many-Body Expansion Potential Energy SurfaceSzichman, H. ; Baer, M. ; Varandas, A. J. C. articleopenAccess
2006A Quantum Wave Packet Dynamics Study of the N(2D) + H2 ReactionChu, Tian-Shu ; Han, Ke-Li ; Varandas, António 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
Jul-1988Quasiclassical trajectory calculations of the thermal rate coefficient for the oxygen atom + hydroxyl .fwdarw. oxygen + hydrogen atom reaction on realistic double many-body expansion potential energy surfaces for ground-state hydroperoxyQuintales, L. A. M. ; Varandas, A. J. C. ; Alvariño, J. M. articleopenAccess
27-Aug-1998Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2Wang, W. ; González-Jonte, R. ; Varandas, A. J. C. articleopenAccess
2004A reacção OH+O2 como fonte de ozono na atmosfera : efeito de excitação vibracionalCaridade, Pedro Jorge dos Santos Branco doctoralThesisembargoedAccess
2002A realistic double many-body expansion potential energy surface for from a multiproperty fit to accurate ab initio energies and vibrational levelsVarandas, A. J. C. ; Rodrigues, S. P. J. articleopenAccess
Jun-1988A realistic hydroperoxo(~X2A") potential energy surface from the double many-body expansion methodVarandas, A. J. C. ; Brandão, J. ; Quintales, L. A. M. articleopenAccess
22-Feb-2007Recalibrated Double Many-Body Expansion Potential Energy Surface and Dynamics Calculations for HN2Caridade, P. J. S. B. ; Poveda, L. A. ; Rodrigues, S. P. J. ; Varandas, A. J. C. articleopenAccess
Oct-1990Recalibration of a single-valued double many-body expansion potential energy surface for ground-state hydroperoxy and dynamics calculations for the oxygen atom + hydroxyl .fwdarw. oxygen + hydrogen atom reactionPastrana, M. R. ; Quintales, L. A. M. ; Brandão, J. ; Varandas, A. J. C. articleopenAccess
27-Apr-2006Ro-Vibrational States of Triplet H2DAlijah, Alexander ; Varandas, António J. C. articleopenAccess
2013Roadmap to spline-fitting potentials in high dimensionsPatrício, M. ; Santos, J. L. ; Patrício, F. ; Varandas, A. J. C. articleopenAccess
21-Jun-2001Single-Valued DMBE Potential Energy Surface for HSO: A Distributed n-Body Polynomial ApproachMartínez-Núñez, E. ; Varandas, A. J. C. articleopenAccess
24-Jan-2002Single-Valued Double Many-Body Expansion Potential Energy Surface of Ground-State SO2Rodrigues, S. P. J. ; Sabín, J. A. ; Varandas, A. J. C. articleopenAccess
2000Singularities in the Hamiltonian at electronic degeneraciesVarandas, A. J. C. ; Xu, Z. R. articleopenAccess
10-Oct-2002Six-Dimensional Energy-Switching Potential Energy Surface for HeHCNAnsari, Wazir-ul H. ; Varandas, António J. C. articleopenAccess
15-May-2003Steady-State Distributions of O2 and OH in the High Atmosphere and Implications in the Ozone ChemistryVarandas, A. J. C. articleopenAccess
2000Superfícies de energia potencial, propriedades eléctricas, espetroscopia e reactividade de sistemas moleculares.Rodrigues, Sérgio Paulo Jorge doctoralThesisembargoedAccess
2000Test studies on the potential energy surface and rate constant for the OH+O3 atmospheric reactionVarandas, A. J. C. ; Zhang, L. articleopenAccess
2013The coupled 3D wave packet approach for triatomic reactive scattering in hyperspherical coordinatesAdhikari, Satrajit ; Varandas, António J.C. articleopenAccess