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Title
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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
1992
Dynamics of the N(4Su) + NO(X2Π) → N2(1Σg+) + O(3Pg) atmospheric reaction on the 3A'' ground potential energy surface. I. Analytical potential energy surface and preliminary quasiclassical trajectory calculations
Gilibert, Miquel; Aguilar Navarro, Antonio; González Pérez, Miguel; Mota Valeri, Fernando; Sayós Ortega, Ramón
15-Apr-1999
Ab initio ground potential energy surface, VTST and QCT study of the O(3P) + CH4(X1A1) → OH(X2Π) + CH3(X2A2'') reaction
González Pérez, Miguel; Hernando, Jordi; Millán, Judith; Sayós Ortega, Ramón
1-Nov-1999
Ab initio ground potential energy surface and quasiclassical trajectory study of the O(1D)+CH4(X1A1)→OH(X 2Π)+CH3(X 2A ″2) reaction dynamics
González Pérez, Miguel; Hernando, Jordi; Baños, Irene; Sayós Ortega, Ramón
1993
A comparison between experimental and theoretical excitation functions for the O+ + H2 (4A'') system using trajectory calculations over a wide energy range
González Pérez, Miguel; Gilibert, Miquel; Aguilar Navarro, Antonio; Sayós Ortega, Ramón
1991
Theoretical characterization of transition state dynamical resonances in heavy-light-heavy reactions
Aguilar Navarro, Antonio; Albertí i Wirsing, Margarida; Blasco, R.; Gilibert, Miquel; Giménez i Font, Xavier; González Pérez, Miguel; Lucas Alcorta, José María; Prieto, M.; Sayós Ortega, Ramón; Solé, Albert (Solé Sabaté)
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
9
Sayós Ortega, Ramón
5
Aguilar Navarro, Antonio
5
Gilibert, Miquel
2
Giménez i Font, Xavier
2
Hernando, Jordi
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Subject
4
Dinàmica molecular
4
Molecular dynamics
4
Química de superfícies
4
Surface chemistry
2
Physical and theoretical chemistry
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1999
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