Varandas, António

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Credit Name
Varandas, António
Full Name
Varandas, António Joaquim de Campos
Variants
Varandas, António J. C.
Varandas, A.
 
 
Unidade de I&D
 
Email
varandas@uc.pt
 
 
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Investigador UC

Publications
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Results 1-112 of 112 (Search time: 0.001 seconds).

Issue DateTitleAuthor(s)TypeAccess
11-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
22001Ab initio theoretical calculation and potential energy surface for ground-state HO3Yu, H. G. ; Varandas, A. J. C. articleopenAccess
32006Accurate DMBE Potential Energy Surface For the N(2D) + H2(1S g+ ) Reaction Using an Improved Switching Function FormalismVarandas, A. ; Poveda, L. articleopenAccess
423-Apr-2009Accurate Double Many-Body Expansion Potential Energy Surface for the Lowest Singlet State of MethyleneJoseph, S. ; Varandas, A. J. C. articleopenAccess
52007Accurate global ab initio potentials at low-cost by correlation scaling and extrapolation to the one-electron basis set limitVarandas, A. J. C. articleopenAccess
62006Accurate MRCI study of ground-state N2H2 potential energy surfaceBiczysko, M. ; Poveda, L. A. ; Varandas, A. J. C. articleopenAccess
72-Oct-2003Accurate Single-Valued Double Many-Body Expansion Potential Energy Surface for Ground-State HN2Poveda, L. A. ; Varandas, A. J. C. articleopenAccess
82008Application of renormalized coupled-cluster methods to potential function of waterPiecuch, Piotr ; Wloch, Marta ; Varandas, António J. C. articleopenAccess
91-Apr-1999Approximate Quantum Mechanical Cross Sections and Rate Constants for the H + O3 Atmospheric Reaction Using Novel Elastic Optimum Angle Adiabatic ApproachesSzichman, H. ; Varandas, A. J. C. articleopenAccess
105-Feb-2004Are Vibrationally Excited Molecules a Clue for the “O3 Deficit Problem” and “HOx Dilemma” in the Middle Atmosphere?Varandas, A. J. C. articleopenAccess
1131-May-2001Calculation of the Rovibrational Partition Function Using Classical Methods with Quantum CorrectionsPrudente, Frederico V. ; Riganelli, Antonio ; Varandas, António J. C. articleopenAccess
122008Can extrapolation to the basis set limit be an alternative to the counterpoise correction? A study on the helium dimerVarandas, A. articleopenAccess
131999Classical canonical transformation theory as a tool to describe multidimensional tunnelling in reactive scattering. Hopping method revisited and collinear H+H2 exchange reaction near the classical thresholdMil'nikov, Gennady V. ; Varandas, António J. C. articleopenAccess
1410-Jul-1997Classical Trajectory Study of Mode Specificity and Rotational Effects in Unimolecular Dissociation of HO2Marques, J. M. C. ; Varandas, A. J. C. articleopenAccess
151999Comparative trajectory surface hopping study for the Li+Li2(X1g+), Na+Li2(X1g+) and Li+Na2(X1g+) dissociation reactionsMarques, J. M. C. ; Voronin, A. I. ; Varandas, A. J. C. articleopenAccess
162003Cone states of tri-hydrogen isotopomers and criterion for the geometric phase effectVarandas, A. J. C. ; Viegas, L. P. articleopenAccess
171999Dimensionality effects on transition state resonances for H+DH and D+HD reactive collisionsVarandas, A. J. C. ; Yu, H. G. articleopenAccess
182000Dinâmica reaccional de sistemas triatómicos e tetratómicos com relevância em química da atmosfera.Wang, Wenli doctoralThesisembargoedAccess
1927-Jun-2002A Direct Evaluation of the Partition Function and Thermodynamic Data for Water at High TemperaturesPrudente, Frederico V. ; Varandas, António J. C. articleopenAccess
207-Mar-2012Double Many-Body Expansion Potencial Energy Surfaces for NHx (x=2,3) SystemsYong Qing Li doctoralThesisopenAccess
216-Dec-2007Double many-body expansion potential energy surfaces for nitrogen-hydrogen molecular systemsPoveda Calviño, Luis Argel doctoralThesisopenAccess
222008Dynamics and kinetics of the S + HO2 reaction: A theoretical studyBallester, M. Y. ; Varandas, A. J. C. articleopenAccess
232-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
2431-Oct-1996Dynamics Study of the H + ArO2 Multichannel ReactionMarques, J. M. C. ; Wang, W. ; Pais, A. A. C. C. ; Varandas, A. J. C. articleopenAccess
2524-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
2622-Apr-2004Dynamics Study of the N(4S) + O2 Reaction and Its ReverseCaridade, P. J. B. S. ; Varandas, A. J. C. articleopenAccess
2714-Oct-2004Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces: The Role of Vibrational ExcitationSilveira, Dora M. ; Caridade, Pedro J. S. B. ; Varandas, António J. C. articleopenAccess
2812-Dec-2002Dynamics Study of the O2 + HO2 Atmospheric Reaction with Both Reactants Highly Vibrationally ExcitedZhang, L. ; Varandas, A. J. C. articleopenAccess
2915-Nov-2001Dynamics Study of the O2(v) + HO2 Atmospheric ReactionZhang, Lei ; Varandas, António J. C. articleopenAccess
3010-May-2001Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 2. Influence of Reactants Internal Energy in HO2 and O3 FormationCaridade, P. J. S. B. ; Zhang, L. ; Garrido, J. D. ; Varandas, A. J. C. articleopenAccess
319-Aug-2001Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited ReactantsCaridade, P. J. S. B. ; Betancourt, M. ; Garrido, J. D. ; Varandas, A. J. C. articleopenAccess
3230-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
3328-Dec-2006Dynamics Study of the OH + O3 Atmospheric Reaction with Both Reactants Vibrationally ExcitedZhang, Lei ; Luo, Pingya ; Huang, Zhiyu ; Varandas, António J. C. articleopenAccess
3430-Jul-1998Dynamics Study of the Reaction Ar + HCN → Ar + H + CNRodrigues, S. P. J. ; Varandas, A. J. C. articleopenAccess
3517-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
361998Energy 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
372002Existence of strictly diabatic basis sets for the two-state problemKryachko, Eugene S. ; Varandas, António J. C. articleopenAccess
38Jul-1992Exponentiating trajectories on a realistic potentil energy surface for sodium trimeraMorais, V. M. F. ; Varandas, A. J. C. articleopenAccess
392006Extrapolating potential energy surfaces by scaling electron correlation at a single geometryVarandas, A. J. C. ; Piecuch, P. articleopenAccess
4016-Oct-2008Extrapolating to the One-Electron Basis Set Limit in Polarizability CalculationsJunqueira, G. M. A. ; Varandas, A. J. C. articleopenAccess
415-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
422003Forbidden transitions in benzeneBorges, I. ; Varandas, A. J. C. ; Rocha, A. B. ; Bielschowsky, C. E. articleopenAccess
4328-Feb-2008Generalized Uniform Singlet- and Triplet-Pair Extrapolation of the Correlation Energy to the One Electron Basis Set LimitVarandas, A. J. C. articleopenAccess
442004Geometric phase effect at N-fold electronic degeneracies in Jahn-Teller systemsVarandas, A. J. C. ; Xu, Z. R. articleopenAccess
4518-Oct-2007HN2(2A‘) Electronic Manifold. I. A Global ab Initio Study of First Two StatesMota, Vinícius C. ; Varandas, António J. C. articleopenAccess
4624-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
472013Implications of the O + OH reaction in hydroxyl nightglow modelingCaridade, P. J. S. B. ; Horta, J.-Z. J. ; Varandas, A. J. C. articleopenAccess
482000Is 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
492007Kinetics 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
5018-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
512013Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiFMeng, Qing-Tian ; Varandas, A. J. C. articleopenAccess
5216-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
5314-Oct-1999Monte Carlo Simulation Approach to Internal Partition Functions for van der Waals MoleculesRiganelli, A. ; Wang, W. ; Varandas, A. J. C. articleopenAccess
5420-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
552008Møller-Plesset perturbation energies and distances for HeC20extrapolated to the complete basis set limitVarandas, A. J. C. articleopenAccess
5618-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
5719-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
582005A 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
592001Nuclear dynamics in the vicinity of a crossing seam: Vibrational spectrum of HD2 revisitedXu, Z. R. ; Varandas, A. J. C. articleopenAccess
602001Nuclear Dynamics in the Vicinity of Crossing Seam: Vibrational Spectra of X3 Systems.Xu, Zong Rong doctoralThesisembargoedAccess
612001OH(v)+O3: Does chemical reaction dominate over non-reactive quenching?Varandas, A. J. C. ; Zhang, L. articleopenAccess
622000On 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
632000On the interaction of two conical intersections: the H6 systemVarandas, A. J. C. ; Voronin, A. I. ; Borges, I. articleopenAccess
641998On the O2(v')+O2(v'') atmospheric reaction. II. The role of rotational excitationWang, W. ; C. Varandas, A. J. articleopenAccess
6512-Aug-1999On the Rate Constant for the Association Reaction H + CN + Ar → HCN + ArRodrigues, S. P. J. ; Varandas, A. J. C. articleopenAccess
6618-Oct-2001On the Rovibrational Partition Function of Molecular Hydrogen at High TemperaturesRiganelli, Antonio ; Prudente, Frederico V. ; Varandas, António J. C. articleopenAccess
672002On triplet tetraoxygen: ab initio study along minimum energy path and global modellingVarandas, A. J. C. ; Llanio-Trujillo, J. L. articleopenAccess
6828-Aug-2014Photoinduced coupled twisted intramolecular charge transfer and excited-state proton transfer via intermolecular hydrogen bonding: a DFT/TD-DFT studyWang, Dandan ; Lü, Rui ; Yuan, Minghu ; Chen, Junsheng ; Feng, Liqiang ; Fu, Aiping ; Tian, Fenghui ; Varandas, António J. C. ; Chu, Tianshu articleopenAccess
692009Potential 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
702012Potential energy surfaces and dynamics of atmospheric reactionsGalvão, Breno Rodrigues Lamaghere doctoralThesisopenAccess
711999Potential energy surfaces and dynamics of chemical reactionsVarandas, A. J. C. articleopenAccess
722-Apr-2018Potential Energy Surfaces of Elemental Carbon ClustersRocha, Carlos Murilo Romero doctoralThesisopenAccess
7314-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
7420-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
752006A Quantum Wave Packet Dynamics Study of the N(2D) + H2 ReactionChu, Tian-Shu ; Han, Ke-Li ; Varandas, António J. C. articleopenAccess
761998Quasi-ab initio dynamics: a test trajectory study of the reaction using energies and gradients based on scaling of the external correlationVarandas, A. J. C. ; Abreu, P. E. articleopenAccess
77Jul-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
7827-Aug-1998Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2Wang, W. ; González-Jonte, R. ; Varandas, A. J. C. articleopenAccess
792004A reacção OH+O2 como fonte de ozono na atmosfera : efeito de excitação vibracionalCaridade, Pedro Jorge dos Santos Branco doctoralThesisembargoedAccess
802002A 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
81Jun-1988A realistic hydroperoxo(~X2A") potential energy surface from the double many-body expansion methodVarandas, A. J. C. ; Brandão, J. ; Quintales, L. A. M. articleopenAccess
8222-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
83Oct-1990Recalibration 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 reactionPastrana, M. R. ; Quintales, L. A. M. ; Brandão, J. ; Varandas, A. J. C. articleopenAccess
8427-Apr-2006Ro-Vibrational States of Triplet H2DAlijah, Alexander ; Varandas, António J. C. articleopenAccess
852013Roadmap to spline-fitting potentials in high dimensionsPatrício, M. ; Santos, J. L. ; Patrício, F. ; Varandas, A. J. C. articleopenAccess
8621-Jun-2001Single-Valued DMBE Potential Energy Surface for HSO: A Distributed n-Body Polynomial ApproachMartínez-Núñez, E. ; Varandas, A. J. C. articleopenAccess
8724-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
882000Singularities in the Hamiltonian at electronic degeneraciesVarandas, A. J. C. ; Xu, Z. R. articleopenAccess
8910-Oct-2002Six-Dimensional Energy-Switching Potential Energy Surface for HeHCNAnsari, Wazir-ul H. ; Varandas, António J. C. articleopenAccess
9015-May-2003Steady-State Distributions of O2 and OH in the High Atmosphere and Implications in the Ozone ChemistryVarandas, A. J. C. articleopenAccess
912000Superfícies de energia potencial, propriedades eléctricas, espetroscopia e reactividade de sistemas moleculares.Rodrigues, Sérgio Paulo Jorge doctoralThesisembargoedAccess
922000Test studies on the potential energy surface and rate constant for the OH+O3 atmospheric reactionVarandas, A. J. C. ; Zhang, L. articleopenAccess
932013The coupled 3D wave packet approach for triatomic reactive scattering in hyperspherical coordinatesAdhikari, Satrajit ; Varandas, António J.C. articleopenAccess
942003Theoretical studies of unimolecular and bimolecular reactions: from electronic structure to dynamics.Trujillo, Jorge Luís Llanio doctoralThesisembargoedAccess
952003Theoretical studies on five -atom atmospheric reactions : OH(v) + O3, and its reverse.Zhang, Lei doctoralThesisembargoedAccess
9618-Dec-2014Theoretical studies on the low-lying electronic states of N2O: From structural aspects to reaction dynamicsLi, Jing doctoralThesisopenAccess
977-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
9828-Jul-2008A theoretical study on the HSO2 molecular systemFurones, Maikel Yusat Ballester doctoralThesisopenAccess
991998A 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
10029-Aug-1996Three-Dimensional Time-Dependent Wavepacket Calculation of the Transition State Resonances for MuH2 and MuD2: Resonance Energies and WidthsYu, H. G. ; Varandas, A. J. C. articleopenAccess
10126-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
1022007Trajectory binning scheme and non-active treatment of zero-point energy leakage in quasi-classical dynamicsVarandas, A. J. C. articleopenAccess
10323-Jul-1998Trajectory Surface Hopping Study of the Li + Li2(X1Σg+) Dissociation ReactionVoronin, A. I. ; Marques, J. M. C. ; Varandas, A. J. C. articleopenAccess
10417-Mar-2005Unimolecular and Bimolecular Calculations for HN2Caridade, P. J. S. B. ; Rodrigues, S. P. J. ; Sousa, F. ; Varandas, A. J. C. articleopenAccess
1052007Variational transition-state theory study of the atmospheric reaction OH + O3 → HO2+ O 2Ju, Li-Ping ; Han, Ke-Li ; Varandas, António J. C. articleopenAccess
10622-Mar-2001Vibrational Calculations for the HD2 First-Excited Electronic State Using a Coordinate-Transformation TechniqueXu, Z. R. ; Varandas, A. J. C. articleopenAccess
1079-Jul-2013Vibrational energy transfer in N(2D)+N2 collisions: a quasiclassical trajectory studyGalvão, B. R. L. ; Varandas, A. J. C. ; Braga, J. P. ; Belchior, J. C. articleopenAccess
1082013Vibrational 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
1092005Vibrational relaxation of highly excited HO2 in collisions with O2Varandas, A. J. C. ; Zhang, L. articleopenAccess
1102008Vibrational Relaxation of Highly Vibrationally Excited O3 in Collisions with OHZhang, Lei ; Luo, Pingya ; Huang, Zhiyu ; Chen, Hong ; Varandas, António J. C. articleopenAccess
11125-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
1122005What are the Implications of Nonequilibrium in the O+OH and O+HO2 Reactions?Varandas, A. J. C. articleopenAccess