Issue Date | Title | Author(s) | Type | Access |
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 |
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 |
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 |
2001 | Nuclear dynamics in the vicinity of a crossing seam: Vibrational spectrum of HD2 revisited | Xu, Z. R. ; Varandas, A. J. C. | article | openAccess |
2001 | Nuclear Dynamics in the Vicinity of Crossing Seam: Vibrational Spectra of X3 Systems. | Xu, Zong Rong | doctoralThesis | embargoedAccess |
2001 | OH(v)+O3: Does chemical reaction dominate over non-reactive quenching? | Varandas, A. J. C. ; Zhang, L. | article | openAccess |
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 |
2000 | On the interaction of two conical intersections: the H6 system | Varandas, A. J. C. ; Voronin, A. I. ; Borges, I. | article | openAccess |
1998 | On the O2(v')+O2(v'') atmospheric reaction. II. The role of rotational excitation | Wang, W. ; C. Varandas, A. J. | article | openAccess |
12-Aug-1999 | On the Rate Constant for the Association Reaction H + CN + Ar → HCN + Ar | Rodrigues, S. P. J. ; Varandas, A. J. C. | article | openAccess |
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 |
2002 | On triplet tetraoxygen: ab initio study along minimum energy path and global modelling | Varandas, A. J. C. ; Llanio-Trujillo, J. L. | article | openAccess |
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 |
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 |
2012 | Potential energy surfaces and dynamics of atmospheric reactions | Galvão, Breno Rodrigues Lamaghere | doctoralThesis | openAccess |
1999 | Potential energy surfaces and dynamics of chemical reactions | Varandas, A. J. C. | article | openAccess |
2-Apr-2018 | Potential Energy Surfaces of Elemental Carbon Clusters | Rocha, Carlos Murilo Romero | doctoralThesis | openAccess |
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 |
20-Nov-1997 | Quantum Dynamical Rate Constant for the H + O3 Reaction Using a Six-Dimensional Double Many-Body Expansion Potential Energy Surface | Szichman, H. ; Baer, M. ; Varandas, A. J. C. | article | openAccess |
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 |