1. Dipòsit Digital de la Universitat de Barcelona

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Issue DateTitleAuthor(s)
1998An 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 calculationsGonzález Pérez, Miguel; Hijazo, J.; Novoa Vide, Juan J.; Sayós Ortega, Ramón
12-Oct-2000Theoretical study of the dynamics, stereodynamics and microscopic mechanism of the O(1D) + CH4(X1A 1) → OH(X2Π) + CH3(X2 A2'') reactionGonzález Pérez, Miguel; Hernando, Jordi; Puyuelo, Maria P.; Sayós Ortega, Ramón
30-Aug-2001Ab initio, variational transition state theory and quasiclassical trajectory study on the lowest 2A' potential enegy surface involved in the N(2D) + O2(X3Σg-) → O(3P) + NO(X2Π) atmospheric reactionGonzález Pérez, Miguel; Miquel, Irene; Sayós Ortega, Ramón
1998Dynamics 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 energiesGilibert, Miquel; Aguilar Navarro, Antonio; González Pérez, Miguel; Sayós Ortega, Ramón
4-Jun-1998Dynamics 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 resultsAguilar Navarro, Antonio; Gilibert, Miquel; Giménez i Font, Xavier; González Pérez, Miguel; Sayós Ortega, Ramón
4-Jun-1998An ab initio analytical potential energy surface for the O(3P) + CS(X1Σ+) → CO(X1Σ+) + S(3P) reaction useful for kinetic and dynamical studiesGonzález Pérez, Miguel; Hijazo, J.; Novoa Vide, Juan J.; Sayós Ortega, Ramón
14-Sep-2020Quantum equilibration of the double-proton transfer in a model system PorphineAlbareda, Guillermo; Riera, Arnau; González Pérez, Miguel; Bofill i Villà, Josep M.; Moreira, Ibério de Pinho Ribeiro; Valero Montero, Rosendo; Tavernelli, Ivano

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