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Results 11-20 of 21 (Search time: 0.03 seconds).
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Issue DateTitleAuthor(s)
2003Quantum wave packet dynamics of the 13A'' N(4S) + NO(X2Π) → N2(X1Σg+)+ O(3P) reactionGamallo Belmonte, Pablo; González Pérez, Miguel; Sayós Ortega, Ramón; Petrongolo, Carlo
24-Feb-2002The lowest doublet and quartet potential energy surfaces involved in the N(4S) + O2 reaction. II. Ab initio study of the C2v-symmetry insertion mechanismGonzález Pérez, Miguel; Oliva, Carolina; Sayós Ortega, Ramón
24-Jun-2002New analytical (2A',4A') surfaces and theoretical rate constants for the N(4S) + O2 reactionSayós Ortega, Ramón; Oliva, Carolina; González Pérez, Miguel
5-Nov-2001Ab initio CASPT2//CASSCF study of the O(1D) + H2O(X1A1) reactionSayós Ortega, Ramón; Oliva, Carolina; González Pérez, Miguel
5-Apr-2000Theoretical investigation of the eight low-lying electronic states of the cis- and trans-nitric oxide dimers and its isomerization using multiconfigurational second-order perturbation theory (CASPT2)Sayós Ortega, Ramón; Valero Montero, Rosendo; Anglada Rull, Josep Maria; González Pérez, Miguel
30-Jul-2001Ab initio ground potential energy surface (3A'') for the O(3P) + N2O reaction and kinetics studyGonzález Pérez, Miguel; Valero Montero, Rosendo; Sayós Ortega, Ramón
2003Quantum reactive scattering calculations of cross sections and rate constants for the N(2D) + O2(X3Σg-) → O(3Π) + NO(X2Π) reactionMiquel, Irene; González Pérez, Miguel; Sayós Ortega, Ramón; Balint-Kurti, Gabriel G.; Gray, Stephen P.; Goldfied, Evelyn M.
10-Jul-2001The lowest doublet and quartet potential energy surfaces involved in the N(4S) + O2 reaction. I. Ab initio calculations for the Cs-symmetry (2A', 4A') abstraction and insertion reaction mechanismsSayós Ortega, Ramón; Oliva, Carolina; González Pérez, Miguel
2003Ab initio derived analytical fits of the two lowest triplet potential energy surfaces and theoretical rate constants for the N(4S)+NO(X2Π) N ( 4 S)+ NO (X  2 Π) systemGamallo Belmonte, Pablo; González Pérez, Miguel; Sayós Ortega, Ramón
24-Oct-2003Ab initio study of the O(1D) + CH4(X1A1) → OH(X2Π) + CH3(X2A2'') reaction: ground and excited potential energy surfacesHernando, Jordi; Millán, Judith; Sayós Ortega, Ramón; González Pérez, Miguel