| Issue Date | Title | Author(s) | Type | Access |
1 | 2000 | Singularities in the Hamiltonian at electronic degeneracies | Varandas, A. J. C. ; Xu, Z. R. | article | openAccess |
2 | 2001 | Ab initio theoretical calculation and potential energy surface for ground-state HO3 | Yu, H. G. ; Varandas, A. J. C. | article | openAccess |
3 | 2006 | Accurate MRCI study of ground-state N2H2 potential energy surface | Biczysko, M. ; Poveda, L. A. ; Varandas, A. J. C. | article | openAccess |
4 | 23-Jul-1998 | Trajectory Surface Hopping Study of the Li + Li2(X1Σg+) Dissociation Reaction | Voronin, A. I. ; Marques, J. M. C. ; Varandas, A. J. C. | article | openAccess |
5 | 5-Feb-2004 | Are Vibrationally Excited Molecules a Clue for the “O3 Deficit Problem” and “HOx Dilemma” in the Middle Atmosphere? | Varandas, A. J. C. | article | openAccess |
6 | 30-May-2002 | Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 4. Influence of Vibrational Relaxation in Collisions Involving Highly Excited Species | Garrido, J. D. ; Caridade, P. J. S. B. ; Varandas, A. J. C. | article | openAccess |
7 | 23-Apr-2009 | Accurate Double Many-Body Expansion Potential Energy Surface for the Lowest Singlet State of Methylene | Joseph, S. ; Varandas, A. J. C. | article | openAccess |
8 | 22-Mar-2001 | Vibrational Calculations for the HD2 First-Excited Electronic State Using a Coordinate-Transformation Technique | Xu, Z. R. ; Varandas, A. J. C. | article | openAccess |
9 | 7-Feb-2008 | A Theoretical Study of Rate Coefficients for the O + NO Vibrational Relaxation | Caridade, P. J. S. B. ; Mota, V. C. ; Mohallem, J. R. ; Varandas, A. J. C. | article | openAccess |
10 | 17-Mar-2005 | Unimolecular and Bimolecular Calculations for HN2 | Caridade, P. J. S. B. ; Rodrigues, S. P. J. ; Sousa, F. ; Varandas, A. J. C. | article | openAccess |
11 | 2007 | Kinetics and dynamics of O + OClO reaction in a modified many-body expansion potential energy surface for ClO3 | Teixeira, O. B. M. ; Marques, J. M. C. ; Varandas, A. J. C. | article | openAccess |
12 | 16-Dec-1999 | Mode Specificity Study in Unimolecular Dissociation of Nonrotating H2O, DHO, and MuHO Molecules | Llanio-Trujillo, J. L. ; Marques, J. M. C. ; Varandas, A. J. C. | article | openAccess |
13 | 19-Jan-2006 | New Double Many-Body Expansion Potential Energy Surface for Ground-State HCN from a Multiproperty Fit to Accurate ab Initio Energies and Rovibrational Calculations | Varandas, A. J. C. ; Rodrigues, S. P. J. | article | openAccess |
14 | 31-Oct-1996 | Dynamics Study of the H + ArO2 Multichannel Reaction | Marques, J. M. C. ; Wang, W. ; Pais, A. A. C. C. ; Varandas, A. J. C. | article | openAccess |
15 | 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 |
16 | 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 |
17 | Jul-1992 | Exponentiating trajectories on a realistic potentil energy surface for sodium trimera | Morais, V. M. F. ; Varandas, A. J. C. | article | openAccess |
18 | 2006 | Extrapolating potential energy surfaces by scaling electron correlation at a single geometry | Varandas, A. J. C. ; Piecuch, P. | article | openAccess |
19 | 2-May-1996 | Dynamics of the Li + Li2 Reaction: Coexistence of Statistical and Direct Attributes | Pais, A. A. C. C. ; Voronin, A. I. ; Varandas, A. J. C. | article | openAccess |
20 | 12-Dec-2002 | Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally Excited | Zhang, L. ; Varandas, A. J. C. | article | openAccess |
21 | 26-Jun-1997 | Toward a Single-Valued DMBE Potential Energy Surface for CHNO(3A). 1. Diatomic Fragments | Jimeno, P. ; Rayez, J. C. ; Abreu, P. E. ; Varandas, A. J. C. | article | openAccess |
22 | 2007 | Trajectory binning scheme and non-active treatment of zero-point energy leakage in quasi-classical dynamics | Varandas, A. J. C. | article | openAccess |
23 | 1-Sep-2008 | An ab initio study of the interaction between He and C36 with extrapolation to the one electron basis set limit | Varandas, A. J. C. | article | openAccess |
24 | 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 |
25 | 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 |
26 | 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 |
27 | 24-Jun-1999 | Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl Radical | Garrido, J. D. ; Caridade, P. J. S. B. ; Varandas, A. J. C. | article | openAccess |
28 | 2005 | What are the Implications of Nonequilibrium in the O+OH and O+HO2 Reactions? | Varandas, A. J. C. | article | openAccess |
29 | 14-Oct-1999 | Monte Carlo Simulation Approach to Internal Partition Functions for van der Waals Molecules | Riganelli, A. ; Wang, W. ; Varandas, A. J. C. | article | openAccess |
30 | 16-Oct-2008 | Extrapolating to the One-Electron Basis Set Limit in Polarizability Calculations | Junqueira, G. M. A. ; Varandas, A. J. C. | article | openAccess |
31 | 12-Aug-1999 | On the Rate Constant for the Association Reaction H + CN + Ar → HCN + Ar | Rodrigues, S. P. J. ; Varandas, A. J. C. | article | openAccess |
32 | 17-Jul-2003 | Dynamics 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 SO2 | Rodrigues, S. P. J. ; Varandas, A. J. C. | article | openAccess |
33 | 1998 | Energy switching potential energy surfaces and spectra of the van der Waals modes for the ArHCN molecule | Varandas, A. J. C. ; Rodrigues, S. P. J. ; Gomes, P. A. J. | article | openAccess |
34 | 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 |
35 | 2000 | On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X3 system | Varandas, A. J. C. ; Xu, Z. R. | article | openAccess |
36 | 25-Apr-2002 | A VTST Study of the H + O3 and O + HO2 Reactions Using a Six-dimensional DMBE Potential Energy Surface for Ground State HO3 | Fernández-Ramos, A. ; Varandas, A. J. C. | article | openAccess |
37 | 9-Jul-2013 | Vibrational Energy Transfer in N(D-2) + N-2 Collisions: A Quasiclassical Trajectory Study | Galvão, B. R. L. ; Varandas, A. J. C. ; Braga, J. P. ; Belchior, J. C. | article | openAccess |
38 | 2003 | Cone states of tri-hydrogen isotopomers and criterion for the geometric phase effect | Varandas, A. J. C. ; Viegas, L. P. | article | openAccess |
39 | 2008 | Dynamics and kinetics of the S + HO2 reaction: A theoretical study | Ballester, M. Y. ; Varandas, A. J. C. | article | openAccess |
40 | 2004 | Geometric phase effect at N-fold electronic degeneracies in Jahn-Teller systems | Varandas, A. J. C. ; Xu, Z. R. | article | openAccess |
41 | 2008 | Møller-Plesset perturbation energies and distances for HeC20extrapolated to the complete basis set limit | Varandas, A. J. C. | article | openAccess |
42 | 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 |
43 | 2000 | Is there a barrier for the C2v insertion reaction in O(1D)+H2? A test dynamics study based on two-valued energy-switching potential energy surfaces | Varandas, A. J. C. ; Voronin, A. I. ; Caridade, P. J. S. B. ; Riganelli, A. | article | openAccess |
44 | 2002 | On triplet tetraoxygen: ab initio study along minimum energy path and global modelling | Varandas, A. J. C. ; Llanio-Trujillo, J. L. | article | openAccess |
45 | 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 |
46 | 2001 | OH(v)+O3: Does chemical reaction dominate over non-reactive quenching? | Varandas, A. J. C. ; Zhang, L. | article | openAccess |
47 | 2000 | On the interaction of two conical intersections: the H6 system | Varandas, A. J. C. ; Voronin, A. I. ; Borges, I. | article | openAccess |
48 | 2003 | Forbidden transitions in benzene | Borges, I. ; Varandas, A. J. C. ; Rocha, A. B. ; Bielschowsky, C. E. | article | openAccess |
49 | 1999 | Dimensionality effects on transition state resonances for H+DH and D+HD reactive collisions | Varandas, A. J. C. ; Yu, H. G. | article | openAccess |
50 | 1998 | A three-dimensional quantum mechanical study of the atmospheric reaction: infinite-order sudden approximation and novel adiabatic approaches vs. quasiclassical trajectories | Varandas, A. J. C. ; Szichman, H. | article | openAccess |