University of Coimbra

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Organization name
University of Coimbra
Director
Established
01-03-1290
 
City
Coimbra
Country
Portugal

OrgUnit's Researchers publications
(Dept/Workgroup Publication)

Refined By:
Date Issued:  [2000 TO 2009]
Author:  Varandas, António J. C.

Results 21-40 of 67 (Search time: 0.41 seconds).

Issue DateTitleAuthor(s)TypeAccess
2130-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
2228-Dec-2006Dynamics Study of the OH + O3 Atmospheric Reaction with Both Reactants Vibrationally ExcitedZhang, Lei ; Luo, Pingya ; Huang, Zhiyu ; Varandas, António J. C. articleopenAccess
2317-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
242002Existence of strictly diabatic basis sets for the two-state problemKryachko, Eugene S. ; Varandas, António J. C. articleopenAccess
252006Extrapolating potential energy surfaces by scaling electron correlation at a single geometryVarandas, A. J. C. ; Piecuch, P. articleopenAccess
616-Oct-2008Extrapolating to the One-Electron Basis Set Limit in Polarizability CalculationsJunqueira, G. M. A. ; Varandas, A. J. C. articleopenAccess
75-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
82003Forbidden transitions in benzeneBorges, I. ; Varandas, A. J. C. ; Rocha, A. B. ; Bielschowsky, C. E. articleopenAccess
928-Feb-2008Generalized Uniform Singlet- and Triplet-Pair Extrapolation of the Correlation Energy to the One Electron Basis Set LimitVarandas, A. J. C. articleopenAccess
102004Geometric phase effect at N-fold electronic degeneracies in Jahn-Teller systemsVarandas, A. J. C. ; Xu, Z. R. articleopenAccess
1118-Oct-2007HN2(2A‘) Electronic Manifold. I. A Global ab Initio Study of First Two StatesMota, Vinícius C. ; Varandas, António J. C. articleopenAccess
1224-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
132000Is 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
142007Kinetics 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
1518-Apr-2002Li + Li2 Dissociation Reaction Using the Self-Consistent Potential and Trajectory Surface Hopping MethodsMarques, J. M. C. ; Voronin, A. I. ; Varandas, A. J. C. articleopenAccess
1620-Jul-2000MRCI Calculation, Scaling of the External Correlation, and Modeling of Potential Energy Curves for HCl and OClPeña-Gallego, A. ; Abreu, P. E. ; Varandas, A. J. C. articleopenAccess
172008Møller-Plesset perturbation energies and distances for HeC20extrapolated to the complete basis set limitVarandas, A. J. C. articleopenAccess
1818-Dec-2003Nascent versus “Steady-State” Rovibrational Distributions in the Products of the O(3P) + O3(1A) ReactionCaridade, P. J. S. B. ; Llanio-Trujillo, J. L. ; Varandas, A. J. C. articleopenAccess
1919-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
202005A novel accurate representation of a double-valued potential energy surface by the DMBE method. Application to triplet H3+(a3E')Varandas, António J. C. ; Alijah, Alexander ; Cernei, Mihail articleopenAccess