Issue Date | Title | Author(s) | Type | Access |
20-Nov-1997 | Quantum Dynamical Rate Constant for the H + O3 Reaction Using a Six-Dimensional Double Many-Body Expansion Potential Energy Surface | Szichman, H. ; Baer, M. ; Varandas, A. J. C. | article | openAccess |
2006 | A Quantum Wave Packet Dynamics Study of the N(2D) + H2 Reaction | Chu, Tian-Shu ; Han, Ke-Li ; Varandas, António J. C. | article | openAccess |
1998 | Quasi-ab initio dynamics: a test trajectory study of the reaction using energies and gradients based on scaling of the external correlation | Varandas, A. J. C. ; Abreu, P. E. | article | openAccess |
Jul-1988 | Quasiclassical 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 hydroperoxy | Quintales, L. A. M. ; Varandas, A. J. C. ; Alvariño, J. M. | article | openAccess |
27-Aug-1998 | Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2 | Wang, W. ; González-Jonte, R. ; Varandas, A. J. C. | article | openAccess |
2004 | A reacção OH+O2 como fonte de ozono na atmosfera : efeito de excitação vibracional | Caridade, Pedro Jorge dos Santos Branco | doctoralThesis | embargoedAccess |
2002 | A realistic double many-body expansion potential energy surface for from a multiproperty fit to accurate ab initio energies and vibrational levels | Varandas, A. J. C. ; Rodrigues, S. P. J. | article | openAccess |
Jun-1988 | A realistic hydroperoxo(~X2A") potential energy surface from the double many-body expansion method | Varandas, A. J. C. ; Brandão, J. ; Quintales, L. A. M. | article | openAccess |
22-Feb-2007 | Recalibrated Double Many-Body Expansion Potential Energy Surface and Dynamics Calculations for HN2 | Caridade, P. J. S. B. ; Poveda, L. A. ; Rodrigues, S. P. J. ; Varandas, A. J. C. | article | openAccess |
Oct-1990 | Recalibration 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 reaction | Pastrana, M. R. ; Quintales, L. A. M. ; Brandão, J. ; Varandas, A. J. C. | article | openAccess |
27-Apr-2006 | Ro-Vibrational States of Triplet H2D | Alijah, Alexander ; Varandas, António J. C. | article | openAccess |
2013 | Roadmap to spline-fitting potentials in high dimensions | Patrício, M. ; Santos, J. L. ; Patrício, F. ; Varandas, A. J. C. | article | openAccess |
21-Jun-2001 | Single-Valued DMBE Potential Energy Surface for HSO: A Distributed n-Body Polynomial Approach | Martínez-Núñez, E. ; Varandas, A. J. C. | article | openAccess |
24-Jan-2002 | Single-Valued Double Many-Body Expansion Potential Energy Surface of Ground-State SO2 | Rodrigues, S. P. J. ; Sabín, J. A. ; Varandas, A. J. C. | article | openAccess |
2000 | Singularities in the Hamiltonian at electronic degeneracies | Varandas, A. J. C. ; Xu, Z. R. | article | openAccess |
10-Oct-2002 | Six-Dimensional Energy-Switching Potential Energy Surface for HeHCN | Ansari, Wazir-ul H. ; Varandas, António J. C. | article | openAccess |
15-May-2003 | Steady-State Distributions of O2 and OH in the High Atmosphere and Implications in the Ozone Chemistry | Varandas, A. J. C. | article | openAccess |
2000 | Superfícies de energia potencial, propriedades eléctricas, espetroscopia e reactividade de sistemas moleculares. | Rodrigues, Sérgio Paulo Jorge | doctoralThesis | embargoedAccess |
2000 | Test studies on the potential energy surface and rate constant for the OH+O3 atmospheric reaction | Varandas, A. J. C. ; Zhang, L. | article | openAccess |
2013 | The coupled 3D wave packet approach for triatomic reactive scattering in hyperspherical coordinates | Adhikari, Satrajit ; Varandas, António J.C. | article | openAccess |