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1
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
2
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
3
2007
Trajectory binning scheme and non-active treatment of zero-point energy leakage in quasi-classical dynamics
Varandas, A. J. C.
article
openAccess
4
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
5
6-Dec-2007
Double many-body expansion potential energy surfaces for nitrogen-hydrogen molecular systems
Poveda Calviño, Luis Argel
doctoralThesis
openAccess
6
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
7
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
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Energia de superfície
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