1. Dipòsit Digital de la Universitat de Barcelona

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Results 1-10 of 25 (Search time: 0.014 seconds).
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Issue DateTitleAuthor(s)
4-Oct-2001Ab initio 1A' ground potential energy surface and transition state theory kinetics study of the O(1D) + N2O → 2NO, N2 +O2(a1Δg) reactionsGonzález Pérez, Miguel; Valero Montero, Rosendo; Anglada Rull, Josep Maria; Sayós Ortega, Ramón
2001Ab initio, VTST and QCT study of the 1 2A'' potential energy surface of the N(2D) + O2(X3 Σg-) → O(3P) + NO(X2Π) reactionGonzález Pérez, Miguel; Miquel, Irene; Sayós Ortega, Ramón
7-Jan-2002Influence of collision energy on the dynamics of the reaction O(1D) + CH4(X1A 1) → OH(X2Π) + CH3(X2 A2'')Sayós Ortega, Ramón; Hernando, Jordi; Puyuelo, Maria P.; Enríquez, Pedro A.; González Pérez, Miguel
2000Ab initio and quasiclassical trajectory study of the N(2D) + NO(X2Π) → O(1D) + N2(X1Σg+) reaction on the lowest 1 A' potential energy surfaceGonzález Pérez, Miguel; Valero Montero, Rosendo; Sayós Ortega, Ramón
12-Oct-2000A theoretical approach to the O(1D) + H2O (X1A1) reaction: ab initio potential energy surface and quasiclassical trajectory dynamics studySayós Ortega, Ramón; Oliva, Carolina; González Pérez, Miguel
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
2003Ab initio study of the two lowest triplet potential energy surfaces involved in the N(4S) + NO(X2Π) reactionGamallo Belmonte, Pablo; González Pérez, Miguel; Sayós Ortega, Ramón
2005Adsorption of atomic oxygen and nitrogen at β-cristobalite (100): a density functionaly theory studyArasa Cid, Carina; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón
2006Quantum real wave-packet dynamics of the N(4S) + NO (X2Π) → N2(X1Σg+) + O(3P) reaction on the ground and first excited triplet potential energy surfaces: Rate constants, cross sections and product distributionsGamallo Belmonte, Pablo; Sayós Ortega, Ramón; González Pérez, Miguel; Petrongolo, Carlo; Defazio, Paolo

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