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Type
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1
23-Jul-1998
Trajectory Surface Hopping Study of the Li + Li2(X1Σg+) Dissociation Reaction
Voronin, A. I.
; Marques, J. M. C.
; Varandas, A. J. C.
article
openAccess
2
16-Dec-1999
Mode Specificity Study in Unimolecular Dissociation of Nonrotating H2O, DHO, and MuHO Molecules
Llanio-Trujillo, J. L.
; Marques, J. M. C.
; Varandas, A. J. C.
article
openAccess
3
31-Oct-1996
Dynamics Study of the H + ArO2 Multichannel Reaction
Marques, J. M. C.
; Wang, W.
; Pais, A. A. C. C.
; Varandas, A. J. C.
article
openAccess
4
Jul-1992
Exponentiating trajectories on a realistic potentil energy surface for sodium trimera
Morais, V. M. F.
; Varandas, A. J. C.
article
openAccess
5
2-May-1996
Dynamics of the Li + Li2 Reaction: Coexistence of Statistical and Direct Attributes
Pais, A. A. C. C.
; Voronin, A. I.
; Varandas, A. J. C.
article
openAccess
6
26-Jun-1997
Toward a Single-Valued DMBE Potential Energy Surface for CHNO(3A). 1. Diatomic Fragments
Jimeno, P.
; Rayez, J. C.
; Abreu, P. E.
; Varandas, A. J. C.
article
openAccess
7
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
8
27-Aug-1998
Quasiclassical Trajectory Study of the Environmental Reaction O + HO2 → OH + O2
Wang, W.
; González-Jonte, R.
; Varandas, A. J. C.
article
openAccess
9
24-Jun-1999
Dynamics Study of the HO(v‘=0) + O2(v‘ ‘) Branching Atmospheric Reaction. 1. Formation of Hydroperoxyl Radical
Garrido, J. D.
; Caridade, P. J. S. B.
; Varandas, A. J. C.
article
openAccess
10
14-Oct-1999
Monte Carlo Simulation Approach to Internal Partition Functions for van der Waals Molecules
Riganelli, A.
; Wang, W.
; Varandas, A. J. C.
article
openAccess
11
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
12
1998
Energy switching potential energy surfaces and spectra of the van der Waals modes for the ArHCN molecule
Varandas, A. J. C.
; Rodrigues, S. P. J.
; Gomes, P. A. J.
article
openAccess
13
1999
Dimensionality effects on transition state resonances for H+DH and D+HD reactive collisions
Varandas, A. J. C.
; Yu, H. G.
article
openAccess
14
1998
A three-dimensional quantum mechanical study of the atmospheric reaction: infinite-order sudden approximation and novel adiabatic approaches vs. quasiclassical trajectories
Varandas, A. J. C.
; Szichman, H.
article
openAccess
15
1998
On the O2(v')+O2(v'') atmospheric reaction. II. The role of rotational excitation
Wang, W.
; C. Varandas, A. J.
article
openAccess
16
1998
Quasi-ab initio dynamics: a test trajectory study of the reaction using energies and gradients based on scaling of the external correlation
Varandas, A. J. C.
; Abreu, P. E.
article
openAccess
17
1999
Comparative trajectory surface hopping study for the Li+Li2(X1g+), Na+Li2(X1g+) and Li+Na2(X1g+) dissociation reactions
Marques, J. M. C.
; Voronin, A. I.
; Varandas, A. J. C.
article
openAccess
18
Oct-1990
Recalibration 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 reaction
Pastrana, M. R.
; Quintales, L. A. M.
; Brandão, J.
; Varandas, A. J. C.
article
openAccess
19
1999
Classical 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 threshold
Mil'nikov, Gennady V.
; Varandas, António J. C.
article
openAccess
20
29-Aug-1996
Three-Dimensional Time-Dependent Wavepacket Calculation of the Transition State Resonances for MuH2 and MuD2: Resonance Energies and Widths
Yu, H. G.
; Varandas, A. J. C.
article
openAccess
21
1-Apr-1999
Approximate Quantum Mechanical Cross Sections and Rate Constants for the H + O3 Atmospheric Reaction Using Novel Elastic Optimum Angle Adiabatic Approaches
Szichman, H.
; Varandas, A. J. C.
article
openAccess
22
1999
Potential energy surfaces and dynamics of chemical reactions
Varandas, A. J. C.
article
openAccess
23
30-Jul-1998
Dynamics Study of the Reaction Ar + HCN → Ar + H + CN
Rodrigues, S. P. J.
; Varandas, A. J. C.
article
openAccess
24
10-Jul-1997
Classical Trajectory Study of Mode Specificity and Rotational Effects in Unimolecular Dissociation of HO2
Marques, J. M. C.
; Varandas, A. J. C.
article
openAccess
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