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Issue Date
Title
Author(s)
15-Sep-2017
Computational simulation study of the influence of faujasite Si/Al ratio on CO2 capture by temperature swing adsorption
Prats Garcia, Hèctor; Bahamón García, Daniel; Giménez i Font, Xavier; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón
9-Apr-2010
Quasiclassical dynamics and kinetics of the N + NO → N+O, NO+N atmospheric reactions
Gamallo Belmonte, Pablo; Martínez Ruiz, Rodrigo; Sayós Ortega, Ramón; González Pérez, Miguel
1-May-2017
y Optimal Faujasite structures for post combustion CO2 capture and separation in different swing adsorption processes
Prats Garcia, Hèctor; Bahamón García, Daniel; Alonso, Gerard; Giménez i Font, Xavier; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón
27-Nov-2019
Assessing salt-surfactant synergistic effects on interfacial tension from molecular dynamics simulations
Alonso, Gerard; Gamallo Belmonte, Pablo; Mejía, Andrés; Sayós Ortega, Ramón
8-Oct-2019
Combining soft-SAFT and COSMO-RS modeling tools to assess the CO2-SO2 separation using phosphonium-based ionic liquids
Alonso, Gerard; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón; Llovell, F.
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
Discover
Author
29
Gamallo Belmonte, Pablo
28
González Pérez, Miguel
12
Prats Garcia, Hèctor
6
Giménez i Font, Xavier
6
Illas i Riera, Francesc
.
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Subject
17
Density functionals
17
Teoria del funcional de densitat
11
Dinàmica molecular
11
Molecular dynamics
11
Quantum chemistry
.
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