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Issue Date
Title
Author(s)
1998
An analytical representation of the ground potential energy surface (2A') of the H + Cl2 → HCl + Cl and Cl + HCl → HCl + Cl reactions, based on ab initio calculations
González Pérez, Miguel; Hijazo, J.; Novoa Vide, Juan J.; Sayós Ortega, Ramón
2003
Ab initio study of the two lowest triplet potential energy surfaces involved in the N(4S) + NO(X2Π) reaction
Gamallo Belmonte, Pablo; González Pérez, Miguel; Sayós Ortega, Ramón
2003
Influence of the collision energy on the N(2D) + O2 → O(3P) + NO reaction dynamics. A QCT study involving four potential energy surfaces
Miquel, Irene; Hernando, Jordi; Sayós Ortega, Ramón; González Pérez, Miguel
1998
Dynamics of the N(4Su) + NO (X2Π) → N2 (X1Σg+) + O (3Pg) atmosferic reaction on the 3A'' potential energy surface. II. The effect of reagent translational, vibrational, and rotational energies
Gilibert, Miquel; Aguilar Navarro, Antonio; González Pérez, Miguel; Sayós Ortega, Ramón
4-Jun-1998
Dynamics of the N(4S) + NO(X2Π) → N2(X1Σ g+) + O(3P) atmospheric reaction on the 3A'' ground potential energy surface.III. Quantum dynamics study and comparison with quasiclassical and experimental results
Aguilar Navarro, Antonio; Gilibert, Miquel; Giménez i Font, Xavier; González Pérez, Miguel; Sayós Ortega, Ramón
4-Jun-1998
An ab initio analytical potential energy surface for the O(3P) + CS(X1Σ+) → CO(X1Σ+) + S(3P) reaction useful for kinetic and dynamical studies
González Pérez, Miguel; Hijazo, J.; Novoa Vide, Juan J.; Sayós Ortega, Ramón
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Author
6
Sayós Ortega, Ramón
2
Aguilar Navarro, Antonio
2
Gilibert, Miquel
2
Hijazo, J.
2
Novoa Vide, Juan J.
.
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Subject
6
Química de superfícies
4
Dinàmica molecular
4
Molecular dynamics
2
Quantum chemistry
2
Química quàntica
.
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Date issued
2
2003
4
1998