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Issue DateTitleAuthor(s)TypeAccess
12000Singularities in the Hamiltonian at electronic degeneraciesVarandas, A. J. C. ; Xu, Z. R. articleopenAccess
22001Ab initio theoretical calculation and potential energy surface for ground-state HO3Yu, H. G. ; Varandas, A. J. C. articleopenAccess
32006Accurate MRCI study of ground-state N2H2 potential energy surfaceBiczysko, M. ; Poveda, L. A. ; Varandas, A. J. C. articleopenAccess
423-Jul-1998Trajectory Surface Hopping Study of the Li + Li2(X1Σg+) Dissociation ReactionVoronin, A. I. ; Marques, J. M. C. ; Varandas, A. J. C. articleopenAccess
55-Feb-2004Are Vibrationally Excited Molecules a Clue for the “O3 Deficit Problem” and “HOx Dilemma” in the Middle Atmosphere?Varandas, A. J. C. articleopenAccess
630-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
723-Apr-2009Accurate Double Many-Body Expansion Potential Energy Surface for the Lowest Singlet State of MethyleneJoseph, S. ; Varandas, A. J. C. articleopenAccess
822-Mar-2001Vibrational Calculations for the HD2 First-Excited Electronic State Using a Coordinate-Transformation TechniqueXu, Z. R. ; Varandas, A. J. C. articleopenAccess
97-Feb-2008A Theoretical Study of Rate Coefficients for the O + NO Vibrational RelaxationCaridade, P. J. S. B. ; Mota, V. C. ; Mohallem, J. R. ; Varandas, A. J. C. articleopenAccess
1017-Mar-2005Unimolecular and Bimolecular Calculations for HN2Caridade, P. J. S. B. ; Rodrigues, S. P. J. ; Sousa, F. ; Varandas, A. J. C. articleopenAccess
112007Kinetics 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
1216-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
1319-Jan-2006New Double Many-Body Expansion Potential Energy Surface for Ground-State HCN from a Multiproperty Fit to Accurate ab Initio Energies and Rovibrational CalculationsVarandas, A. J. C. ; Rodrigues, S. P. J. articleopenAccess
1431-Oct-1996Dynamics Study of the H + ArO2 Multichannel ReactionMarques, J. M. C. ; Wang, W. ; Pais, A. A. C. C. ; Varandas, A. J. C. articleopenAccess
15Jun-1988A realistic hydroperoxo(~X2A") potential energy surface from the double many-body expansion methodVarandas, A. J. C. ; Brandão, J. ; Quintales, L. A. M. articleopenAccess
1622-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
17Jul-1992Exponentiating trajectories on a realistic potentil energy surface for sodium trimeraMorais, V. M. F. ; Varandas, A. J. C. articleopenAccess
182006Extrapolating potential energy surfaces by scaling electron correlation at a single geometryVarandas, A. J. C. ; Piecuch, P. articleopenAccess
192-May-1996Dynamics of the Li + Li2 Reaction: Coexistence of Statistical and Direct AttributesPais, A. A. C. C. ; Voronin, A. I. ; Varandas, A. J. C. articleopenAccess
2012-Dec-2002Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally ExcitedZhang, L. ; Varandas, A. J. C. articleopenAccess
2126-Jun-1997Toward a Single-Valued DMBE Potential Energy Surface for CHNO(3A). 1. Diatomic FragmentsJimeno, P. ; Rayez, J. C. ; Abreu, P. E. ; Varandas, A. J. C. articleopenAccess
222007Trajectory binning scheme and non-active treatment of zero-point energy leakage in quasi-classical dynamicsVarandas, A. J. C. articleopenAccess
231-Sep-2008An ab initio study of the interaction between He and C36 with extrapolation to the one electron basis set limitVarandas, A. J. C. articleopenAccess
2420-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
25Jul-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
2627-Aug-1998Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2Wang, W. ; González-Jonte, R. ; Varandas, A. J. C. articleopenAccess
2724-Jun-1999Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl RadicalGarrido, J. D. ; Caridade, P. J. S. B. ; Varandas, A. J. C. articleopenAccess
282005What are the Implications of Nonequilibrium in the O+OH and O+HO2 Reactions?Varandas, A. J. C. articleopenAccess
2914-Oct-1999Monte Carlo Simulation Approach to Internal Partition Functions for van der Waals MoleculesRiganelli, A. ; Wang, W. ; Varandas, A. J. C. articleopenAccess
3016-Oct-2008Extrapolating to the One-Electron Basis Set Limit in Polarizability CalculationsJunqueira, G. M. A. ; Varandas, A. J. C. articleopenAccess
3112-Aug-1999On the Rate Constant for the Association Reaction H + CN + Ar → HCN + ArRodrigues, S. P. J. ; Varandas, A. J. C. articleopenAccess
3217-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
331998Energy 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
3424-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
352000On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X3 systemVarandas, A. J. C. ; Xu, Z. R. articleopenAccess
3625-Apr-2002A VTST Study of the H + O3 and O + HO2 Reactions Using a Six-dimensional DMBE Potential Energy Surface for Ground State HO3Fernández-Ramos, A. ; Varandas, A. J. C. articleopenAccess
379-Jul-2013Vibrational Energy Transfer in N(D-2) + N-2 Collisions: A Quasiclassical Trajectory StudyGalvão, B. R. L. ; Varandas, A. J. C. ; Braga, J. P. ; Belchior, J. C. articleopenAccess
382003Cone states of tri-hydrogen isotopomers and criterion for the geometric phase effectVarandas, A. J. C. ; Viegas, L. P. articleopenAccess
392008Dynamics and kinetics of the S + HO2 reaction: A theoretical studyBallester, M. Y. ; Varandas, A. J. C. articleopenAccess
402004Geometric phase effect at N-fold electronic degeneracies in Jahn-Teller systemsVarandas, A. J. C. ; Xu, Z. R. articleopenAccess
412008Møller-Plesset perturbation energies and distances for HeC20extrapolated to the complete basis set limitVarandas, A. J. C. articleopenAccess
422002A 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
432000Is 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
442002On triplet tetraoxygen: ab initio study along minimum energy path and global modellingVarandas, A. J. C. ; Llanio-Trujillo, J. L. articleopenAccess
452000Test studies on the potential energy surface and rate constant for the OH+O3 atmospheric reactionVarandas, A. J. C. ; Zhang, L. articleopenAccess
462001OH(v)+O3: Does chemical reaction dominate over non-reactive quenching?Varandas, A. J. C. ; Zhang, L. articleopenAccess
472000On the interaction of two conical intersections: the H6 systemVarandas, A. J. C. ; Voronin, A. I. ; Borges, I. articleopenAccess
482003Forbidden transitions in benzeneBorges, I. ; Varandas, A. J. C. ; Rocha, A. B. ; Bielschowsky, C. E. articleopenAccess
491999Dimensionality effects on transition state resonances for H+DH and D+HD reactive collisionsVarandas, A. J. C. ; Yu, H. G. articleopenAccess
501998A three-dimensional quantum mechanical study of the atmospheric reaction: infinite-order sudden approximation and novel adiabatic approaches vs. quasiclassical trajectoriesVarandas, A. J. C. ; Szichman, H. articleopenAccess
Results 1-50 of 77 (Search time: 1.917 seconds).