| Issue Date | Title | Author(s) | Type | Access |
| 1 | 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 |
| 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 DMBE Potential Energy Surface For the N(2D) + H2(1S g+ ) Reaction Using an Improved Switching Function Formalism | Varandas, A. ; Poveda, L. | article | openAccess |
| 4 | 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 |
| 5 | 2007 | Accurate global ab initio potentials at low-cost by correlation scaling and extrapolation to the one-electron basis set limit | Varandas, A. J. C. | article | openAccess |
| 6 | 2006 | Accurate MRCI study of ground-state N2H2 potential energy surface | Biczysko, M. ; Poveda, L. A. ; Varandas, A. J. C. | article | openAccess |
| 7 | 2012 | Accurate Potential Energy Surfaces and Beyond: Chemical Reactivity, Binding, Long-Range Interactions, and Spectroscopy | Bytautas, Laimutis; Bowman, Joel M.; Huang, Xinchuan; Varandas, António J. C. | article | openAccess |
| 8 | 2-Oct-2003 | Accurate Single-Valued Double Many-Body Expansion Potential Energy Surface for Ground-State HN2 | Poveda, L. A. ; Varandas, A. J. C. | article | openAccess |
| 9 | 2008 | Application of renormalized coupled-cluster methods to potential function of water | Piecuch, Piotr ; Wloch, Marta ; Varandas, António J. C. | article | openAccess |
| 10 | 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 |
| 11 | 31-May-2001 | Calculation of the Rovibrational Partition Function Using Classical Methods with Quantum Corrections | Prudente, Frederico V. ; Riganelli, Antonio ; Varandas, António J. C. | article | openAccess |
| 12 | 2008 | Can extrapolation to the basis set limit be an alternative to the counterpoise correction? A study on the helium dimer | Varandas, A. | article | openAccess |
| 13 | 15-Jun-2023 | Carbon-[n]Triangulenes and Sila-[n]Triangulenes: Which Are Planar? | Varandas, A. J. C. | article | openAccess |
| 14 | 2003 | Cone states of tri-hydrogen isotopomers and criterion for the geometric phase effect | Varandas, A. J. C. ; Viegas, L. P. | article | openAccess |
| 15 | 27-Jun-2002 | A Direct Evaluation of the Partition Function and Thermodynamic Data for Water at High Temperatures | Prudente, Frederico V. ; Varandas, António J. C. | article | openAccess |
| 16 | 2008 | Dynamics and kinetics of the S + HO2 reaction: A theoretical study | Ballester, M. Y. ; Varandas, A. J. C. | article | openAccess |
| 17 | 22-Apr-2004 | Dynamics Study of the N(4S) + O2 Reaction and Its Reverse | Caridade, P. J. B. S. ; Varandas, A. J. C. | article | openAccess |
| 18 | 14-Oct-2004 | Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces: The Role of Vibrational Excitation | Silveira, Dora M. ; Caridade, Pedro J. S. B. ; Varandas, António J. C. | article | openAccess |
| 19 | 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 |
| 20 | 15-Nov-2001 | Dynamics Study of the O2(v) + HO2 Atmospheric Reaction | Zhang, Lei ; Varandas, António J. C. | article | openAccess |
| 21 | 10-May-2001 | Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 2. Influence of Reactants Internal Energy in HO2 and O3 Formation | Caridade, P. J. S. B. ; Zhang, L. ; Garrido, J. D. ; Varandas, A. J. C. | article | openAccess |
| 22 | 9-Aug-2001 | Dynamics Study of the OH + O2 Branching Atmospheric Reaction. 3. Dissociation in Collisions of Vibrationally Excited Reactants | Caridade, P. J. S. B. ; Betancourt, M. ; Garrido, J. D. ; Varandas, A. J. C. | article | openAccess |
| 23 | 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 |
| 24 | 28-Dec-2006 | Dynamics Study of the OH + O3 Atmospheric Reaction with Both Reactants Vibrationally Excited | Zhang, Lei ; Luo, Pingya ; Huang, Zhiyu ; Varandas, António J. C. | article | openAccess |
| 25 | 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 |
| 26 | 2002 | Existence of strictly diabatic basis sets for the two-state problem | Kryachko, Eugene S. ; Varandas, António J. C. | article | openAccess |
| 27 | 2006 | Extrapolating potential energy surfaces by scaling electron correlation at a single geometry | Varandas, A. J. C. ; Piecuch, P. | article | openAccess |
| 28 | 16-Oct-2008 | Extrapolating to the One-Electron Basis Set Limit in Polarizability Calculations | Junqueira, G. M. A. ; Varandas, A. J. C. | article | openAccess |
| 29 | 5-May-2000 | First principles calculation of the potential energy surface for the lowest-quartet state of H3 and modelling by the double many-body expansion method | Abreu, P. E. ; Varandas, A. J. C. | article | openAccess |
| 30 | 2003 | Forbidden transitions in benzene | Borges, I. ; Varandas, A. J. C. ; Rocha, A. B. ; Bielschowsky, C. E. | article | openAccess |
| 31 | 28-Feb-2008 | Generalized Uniform Singlet- and Triplet-Pair Extrapolation of the Correlation Energy to the One Electron Basis Set Limit | Varandas, A. J. C. | article | openAccess |
| 32 | 2004 | Geometric phase effect at N-fold electronic degeneracies in Jahn-Teller systems | Varandas, A. J. C. ; Xu, Z. R. | article | openAccess |
| 33 | 18-Oct-2007 | HN2(2A‘) Electronic Manifold. I. A Global ab Initio Study of First Two States | Mota, Vinícius C. ; Varandas, António J. C. | article | openAccess |
| 34 | 24-Apr-2008 | HN2(2A‘) Electronic Manifold. II. Ab Initio Based Double-Sheeted DMBE Potential Energy Surface via a Global Diabatization Angle | Mota, Vinícius C. ; Varandas, António J. C. | article | openAccess |
| 35 | 2013 | Implications of the O + OH reaction in hydroxyl nightglow modeling | Caridade, P. J. S. B. ; Horta, J.-Z. J. ; Varandas, A. J. C. | article | openAccess |
| 36 | 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 |
| 37 | 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 |
| 38 | 18-Apr-2002 | Li + Li2 Dissociation Reaction Using the Self-Consistent Potential and Trajectory Surface Hopping Methods | Marques, J. M. C. ; Voronin, A. I. ; Varandas, A. J. C. | article | openAccess |
| 39 | 2013 | Manifestation of external field effect in time-resolved photo-dissociation dynamics of LiF | Meng, Qing-Tian ; Varandas, A. J. C. | article | openAccess |
| 40 | 2003 | O método das trajectórias clássicas: colisões coplanares do tipo A+BC | Marques, Jorge M. C. ; Riganelli, Antonio ; Varandas, António J. C. | article | openAccess |
| 41 | 20-Jul-2000 | MRCI Calculation, Scaling of the External Correlation, and Modeling of Potential Energy Curves for HCl and OCl | Peña-Gallego, A. ; Abreu, P. E. ; Varandas, A. J. C. | article | openAccess |
| 42 | 2008 | Møller-Plesset perturbation energies and distances for HeC20extrapolated to the complete basis set limit | Varandas, A. J. C. | article | openAccess |
| 43 | 18-Dec-2003 | Nascent versus “Steady-State” Rovibrational Distributions in the Products of the O(3P) + O3(1A) Reaction | Caridade, P. J. S. B. ; Llanio-Trujillo, J. L. ; Varandas, A. J. C. | article | openAccess |
| 44 | 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 |
| 45 | 2005 | A 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 | article | openAccess |
| 46 | 2001 | Nuclear dynamics in the vicinity of a crossing seam: Vibrational spectrum of HD2 revisited | Xu, Z. R. ; Varandas, A. J. C. | article | openAccess |
| 47 | 2001 | OH(v)+O3: Does chemical reaction dominate over non-reactive quenching? | Varandas, A. J. C. ; Zhang, L. | article | openAccess |
| 48 | 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 |
| 49 | 2000 | On the interaction of two conical intersections: the H6 system | Varandas, A. J. C. ; Voronin, A. I. ; Borges, I. | article | openAccess |
| 50 | 18-Oct-2001 | On the Rovibrational Partition Function of Molecular Hydrogen at High Temperatures | Riganelli, Antonio ; Prudente, Frederico V. ; Varandas, António J. C. | article | openAccess |
| 51 | 2002 | On triplet tetraoxygen: ab initio study along minimum energy path and global modelling | Varandas, A. J. C. ; Llanio-Trujillo, J. L. | article | openAccess |
| 52 | 28-Aug-2014 | Photoinduced coupled twisted intramolecular charge transfer and excited-state proton transfer via intermolecular hydrogen bonding: a DFT/TD-DFT study | Wang, Dandan ; Lü, Rui ; Yuan, Minghu ; Chen, Junsheng ; Feng, Liqiang ; Fu, Aiping ; Tian, Fenghui ; Varandas, António J. C. ; Chu, Tianshu | article | openAccess |
| 53 | 2009 | Potential Energy Surface for Ground-State H2S via Scaling of the External Correlation, Comparison with Extrapolation to Complete Basis Set Limit, and Use in Reaction Dynamics | Song, Y. Z. ; Caridade, P. J. S. B. ; Varandas, A. J. C. | article | openAccess |
| 54 | 14-Sep-2006 | Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations | Hellman, 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. | article | openAccess |
| 55 | 2006 | A Quantum Wave Packet Dynamics Study of the N(2D) + H2 Reaction | Chu, Tian-Shu ; Han, Ke-Li ; Varandas, António J. C. | article | openAccess |
| 56 | 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 |
| 57 | 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 |
| 58 | 27-Apr-2006 | Ro-Vibrational States of Triplet H2D | Alijah, Alexander ; Varandas, António J. C. | article | openAccess |
| 59 | 2013 | Roadmap to spline-fitting potentials in high dimensions | Patrício, M. ; Santos, J. L. ; Patrício, F. ; Varandas, A. J. C. | article | openAccess |
| 60 | 21-Jun-2001 | Single-Valued DMBE Potential Energy Surface for HSO: A Distributed n-Body Polynomial Approach | Martínez-Núñez, E. ; Varandas, A. J. C. | article | openAccess |
| 61 | 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 |
| 62 | 2000 | Singularities in the Hamiltonian at electronic degeneracies | Varandas, A. J. C. ; Xu, Z. R. | article | openAccess |
| 63 | 10-Oct-2002 | Six-Dimensional Energy-Switching Potential Energy Surface for HeHCN | Ansari, Wazir-ul H. ; Varandas, António J. C. | article | openAccess |
| 64 | 15-May-2003 | Steady-State Distributions of O2 and OH in the High Atmosphere and Implications in the Ozone Chemistry | Varandas, A. J. C. | article | openAccess |
| 65 | 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 |
| 66 | 2013 | The coupled 3D wave packet approach for triatomic reactive scattering in hyperspherical coordinates | Adhikari, Satrajit ; Varandas, António J.C. | article | openAccess |
| 67 | 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 |
| 68 | 2007 | Trajectory binning scheme and non-active treatment of zero-point energy leakage in quasi-classical dynamics | Varandas, A. J. C. | article | openAccess |
| 69 | 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 |
| 70 | 2007 | Variational transition-state theory study of the atmospheric reaction OH + O3 → HO2+ O 2 | Ju, Li-Ping ; Han, Ke-Li ; Varandas, António J. C. | article | openAccess |
| 71 | 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 |
| 72 | 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 |
| 73 | 2005 | Vibrational relaxation of highly excited HO2 in collisions with O2 | Varandas, A. J. C. ; Zhang, L. | article | openAccess |
| 74 | 2008 | Vibrational Relaxation of Highly Vibrationally Excited O3 in Collisions with OH | Zhang, Lei ; Luo, Pingya ; Huang, Zhiyu ; Chen, Hong ; Varandas, António J. C. | article | openAccess |
| 75 | 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 |
| 76 | 2005 | What are the Implications of Nonequilibrium in the O+OH and O+HO2 Reactions? | Varandas, A. J. C. | article | openAccess |
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