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Results 141-150 of 159 (Search time: 0.031 seconds).
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Issue Date
Title
Author(s)
2001
Optical properties of peroxy radicals in silica: Multiconfigurational perturbation theory calculations
Sousa Romero, Carmen; Graaf, Coen de; Pacchioni, Gianfranco
21-Aug-2006
Optical absorption and luminescence energies of F centers in CaO from ab initio embedded cluster calculations
Carrasco Rodríguez, Javier; Sousa Romero, Carmen; Illas i Riera, Francesc; Sushko, P.V.; Shluger, A.L.
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
30-Jul-2001
Ab initio ground potential energy surface (3A'') for the O(3P) + N2O reaction and kinetics study
González Pérez, Miguel; Valero Montero, Rosendo; Sayós Ortega, Ramón
2003
Quantum reactive scattering calculations of cross sections and rate constants for the N(2D) + O2(X3Σg-) → O(3Π) + NO(X2Π) reaction
Miquel, Irene; González Pérez, Miguel; Sayós Ortega, Ramón; Balint-Kurti, Gabriel G.; Gray, Stephen P.; Goldfied, Evelyn M.
2007
A density functional study of atomic oxygen and nitrogen adsorption over α-alumina (0001)
Gamallo Belmonte, Pablo; Sayós Ortega, Ramón
9-Jun-2009
FeAl and NbAl3 intermetallic- HVOF coatings: structure and properties
Guilemany, J. M. (José María); Cinca i Luis, Núria; Dosta Parras, Sergi; García Cano, Irene
21-Nov-2008
Controlled swimming in confined fluids of magnetically actuated colloidal rotors
Tierno, Pietro; Golestanian, Ramin; Pagonabarraga Mora, Ignacio; Sagués i Mestre, Francesc
2007
El racó de la història: Cent anys del tercer principi de la termodinàmica: 1906-2006
Mas i Pujadas, Francesc; Gómez Estévez, Juan Luis
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
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Author
40
Illas i Riera, Francesc
33
Sagués i Mestre, Francesc
25
Sayós Ortega, Ramón
21
González Pérez, Miguel
17
Sousa Romero, Carmen
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Subject
25
Estructura electrònica
23
Electronic structure
23
Química física
22
Teoria del funcional de densitat
21
Thermodynamics
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Date issued
5
2009
16
2008
11
2007
13
2006
15
2005
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