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Results 1-6 of 6 (Search time: 0.011 seconds).
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Issue Date
Title
Author(s)
12-Oct-2000
A theoretical approach to the O(1D) + H2O (X1A1) reaction: ab initio potential energy surface and quasiclassical trajectory dynamics study
Sayós Ortega, Ramón; Oliva, Carolina; González Pérez, Miguel
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
24-Jun-2002
New analytical (2A',4A') surfaces and theoretical rate constants for the N(4S) + O2 reaction
Sayós Ortega, Ramón; Oliva, Carolina; González Pérez, Miguel
5-Nov-2001
Ab initio CASPT2//CASSCF study of the O(1D) + H2O(X1A1) reaction
Sayós Ortega, Ramón; Oliva, Carolina; González Pérez, Miguel
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
22-Aug-2002
Quantum dynamics of the N(4S) + O2 reaction on the X2A' and a4A' surfaces: reaction probabilities, cross sections, rate constants, and product distributions
Defazio, Paolo; Petrongolo, Carlo; Oliva, Carolina; González Pérez, Miguel; Sayós Ortega, Ramón
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Author
6
González Pérez, Miguel
1
Defazio, Paolo
1
Petrongolo, Carlo
Subject
3
Quantum theory
3
Teoria quàntica
2
Chemical reactions
2
Density functionals
2
Dissociació (Química)
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Date issued
3
2002
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2001
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2000