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 41-60 of 67 (Search time: 0.014 seconds).

Issue DateTitleAuthor(s)TypeAccess
412001Nuclear dynamics in the vicinity of a crossing seam: Vibrational spectrum of HD2 revisitedXu, Z. R. ; Varandas, A. J. C. articleopenAccess
22001OH(v)+O3: Does chemical reaction dominate over non-reactive quenching?Varandas, A. J. C. ; Zhang, L. articleopenAccess
32000On 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
42000On the interaction of two conical intersections: the H6 systemVarandas, A. J. C. ; Voronin, A. I. ; Borges, I. articleopenAccess
518-Oct-2001On the Rovibrational Partition Function of Molecular Hydrogen at High TemperaturesRiganelli, Antonio ; Prudente, Frederico V. ; Varandas, António J. C. articleopenAccess
62002On triplet tetraoxygen: ab initio study along minimum energy path and global modellingVarandas, A. J. C. ; Llanio-Trujillo, J. L. articleopenAccess
72009Potential Energy Surface for Ground-State H2S via Scaling of the External Correlation, Comparison with Extrapolation to Complete Basis Set Limit, and Use in Reaction DynamicsSong, Y. Z. ; Caridade, P. J. S. B. ; Varandas, A. J. C. articleopenAccess
814-Sep-2006Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles CalculationsHellman, A. ; Baerends, E. J. ; Biczysko, M. ; Bligaard, T. ; Christensen, C. H. ; Clary, D. C. ; Dahl, S. ; Harrevelt, R. van ; Honkala, K. ; Jonsson, H. ; Kroes, G. J. ; Luppi, M. ; Manthe, U. ; Nørskov, J. K. ; Olsen, R. A. ; Rossmeisl, J. ; Skúlason, E. ; Tautermann, C. S. ; Varandas, A. J. C. ; Vincent, J. K. articleopenAccess
92006A Quantum Wave Packet Dynamics Study of the N(2D) + H2 ReactionChu, Tian-Shu ; Han, Ke-Li ; Varandas, António J. C. articleopenAccess
102002A 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
1122-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
1227-Apr-2006Ro-Vibrational States of Triplet H2DAlijah, Alexander ; Varandas, António J. C. articleopenAccess
1321-Jun-2001Single-Valued DMBE Potential Energy Surface for HSO: A Distributed n-Body Polynomial ApproachMartínez-Núñez, E. ; Varandas, A. J. C. articleopenAccess
1424-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
152000Singularities in the Hamiltonian at electronic degeneraciesVarandas, A. J. C. ; Xu, Z. R. articleopenAccess
1610-Oct-2002Six-Dimensional Energy-Switching Potential Energy Surface for HeHCNAnsari, Wazir-ul H. ; Varandas, António J. C. articleopenAccess
1715-May-2003Steady-State Distributions of O2 and OH in the High Atmosphere and Implications in the Ozone ChemistryVarandas, A. J. C. articleopenAccess
182000Test studies on the potential energy surface and rate constant for the OH+O3 atmospheric reactionVarandas, A. J. C. ; Zhang, L. articleopenAccess
197-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
202007Trajectory binning scheme and non-active treatment of zero-point energy leakage in quasi-classical dynamicsVarandas, A. J. C. articleopenAccess