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Issue Date
Title
Author(s)
3-Jan-2008
Dynamic ion pairs in the adsorption of isolated water molecules on alkaline-earth oxide (001) surfaces
Carrasco Rodríguez, Javier; Illas i Riera, Francesc; López, Núria (López Alonso)
4-Oct-2001
Ab initio 1A' ground potential energy surface and transition state theory kinetics study of the O(1D) + N2O → 2NO, N2 +O2(a1Δg) reactions
González Pérez, Miguel; Valero Montero, Rosendo; Anglada Rull, Josep Maria; Sayós Ortega, Ramón
2001
Ab initio, VTST and QCT study of the 1 2A'' potential energy surface of the N(2D) + O2(X3 Σg-) → O(3P) + NO(X2Π) reaction
González Pérez, Miguel; Miquel, Irene; Sayós Ortega, Ramón
7-Jan-2002
Influence 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
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
2005
Adsorption of atomic oxygen and nitrogen at β-cristobalite (100): a density functionaly theory study
Arasa Cid, Carina; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón
2006
Quantum 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 distributions
Gamallo Belmonte, Pablo; Sayós Ortega, Ramón; González Pérez, Miguel; Petrongolo, Carlo; Defazio, Paolo
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
2003
Quantum wave packet dynamics of the 13A'' N(4S) + NO(X2Π) → N2(X1Σg+)+ O(3P) reaction
Gamallo Belmonte, Pablo; González Pérez, Miguel; Sayós Ortega, Ramón; Petrongolo, Carlo
2008
Classical dynamics study of atomic oxygen sticking on the β-cristobalite (100) surface
Arasa Cid, Carina; Busnengo, H. F.; Salin, A.; Sayós Ortega, Ramón
Discover
Author
14
Reigada Sanz, Ramon
12
López, Núria (López Alonso)
12
Moreira, Ibério de Pinho Ribeiro
9
Graaf, Coen de
9
Sancho, José M.
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Subject
25
Estructura electrònica
23
Electronic structure
23
Química física
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Teoria del funcional de densitat
21
Thermodynamics
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Date issued
5
2009
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2005
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