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Results 1-7 of 7 (Search time: 0.019 seconds).
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Issue Date
Title
Author(s)
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
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
24-Feb-2002
The lowest doublet and quartet potential energy surfaces involved in the N(4S) + O2 reaction. II. Ab initio study of the C2v-symmetry insertion mechanism
González Pérez, Miguel; Oliva, Carolina; Sayós Ortega, Ramón
5-Apr-2000
Theoretical 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
2007
A density functional study of atomic oxygen and nitrogen adsorption over α-alumina (0001)
Gamallo Belmonte, Pablo; Sayós Ortega, Ramón
15-Jul-2009
Eley-Rideal reaction dynamics between O atoms on β-cristobalite (100) surface: a new interpolated potential energy surface and classical trajectory study
Arasa Cid, Carina; Morón Tejero, Víctor; Busnengo, H. F.; Sayós Ortega, Ramón
10-Jul-2001
The 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 mechanisms
Sayós Ortega, Ramón; Oliva, Carolina; González Pérez, Miguel
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Author
3
Arasa Cid, Carina
3
González Pérez, Miguel
2
Busnengo, H. F.
2
Gamallo Belmonte, Pablo
2
Oliva, Carolina
.
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Subject
7
Density functionals
3
Adsorció
3
Adsorption
2
Chemisorption
2
Dinàmica molecular
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Date issued
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2009
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2008
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2007
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2005
1
2002
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