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Lizandra Barrios
Lizandra Barrios
Ph.D. Student University of Calgary
Verified email at ucalgary.ca - Homepage
Title
Cited by
Cited by
Year
Multiscale modeling of enzymes: QM‐cluster, QM/MM, and QM/MM/MD: a tutorial review
S Ahmadi, L Barrios Herrera, M Chehelamirani, J Hostaš, S Jalife, ...
International Journal of Quantum Chemistry 118 (9), e25558, 2018
1352018
Scattering study of the Ne+ NeH+ (v= 0, j= 0)→ NeH++ Ne reaction on an ab initio based analytical potential energy surface
D Koner, L Barrios, T González-Lezana, AN Panda
The Journal of chemical physics 144 (3), 2016
222016
Wave packet and statistical quantum calculations for the He+ NeH+→ HeH++ Ne reaction on the ground electronic state
D Koner, L Barrios, T González-Lezana, AN Panda
The Journal of Chemical Physics 141 (11), 2014
222014
State-to-State Dynamics of the Ne + HeH+ (v = 0, j = 0) → NeH+(v′, j′) + He Reaction
D Koner, L Barrios, T González-Lezana, AN Panda
The Journal of Physical Chemistry A 120 (27), 4731-4741, 2016
202016
A new active learning approach for global optimization of atomic clusters
MP Lourenco, BRL Galvao, L Barrios Herrera, J Hostaš, A Tchagang, ...
Theoretical Chemistry Accounts 140 (6), 62, 2021
122021
Quantum, Statistical, and Quasiclassical Trajectory Studies For the Ne + HeH+ → NeH+ + He Reaction on the Ground Electronic State
D Koner, L Barrios, T González-Lezana, AN Panda
The Journal of Physical Chemistry A 119 (50), 12052-12061, 2015
122015
Taking the multiplicity inside the loop: active learning for structural and spin multiplicity elucidation of atomic clusters
MP Lourenço, LB Herrera, J Hostaš, P Calaminici, AM Köster, ...
Theoretical Chemistry Accounts 140, 1-10, 2021
102021
Sección Eficaz Eley-Rideal en la Recombinación de Nitrógeno sobre Tungsteno (100)
L Barrios-Herrera, E Quintas-Sánchez, L Martin-Gondre, P Larrégaray, ...
Revista Cubana de Física 28 (1), 2011
72011
Capture approximations beyond a statistical quantum mechanical method for atom-diatom reactions
L Barrios, J Rubayo-Soneira, T González-Lezana
The European Physical Journal D 70, 1-7, 2016
42016
Atom–Diatom Reactive Scattering Collisions in Protonated Rare Gas Systems
D Koner, L Barrios, T González-Lezana, AN Panda
Molecules 26 (14), 4206, 2021
32021
How important is the amount of exact exchange for spin-state energy ordering in DFT? Case study of molybdenum carbide cluster, Mo4C2
J Hostaš, KO Pérez-Becerra, P Calaminici, L Barrios-Herrera, ...
The Journal of Chemical Physics 159 (18), 2023
12023
Three-level depletion by cavity ringdown absorption spectroscopy: proof of concept
FJ Mazzotti, L Barrios, R Raghunandan, JP Maier
Molecular Physics 111 (2), 335-344, 2013
12013
Statistical Quantum Model for Atom-Diatom Reaction Studies
R García-Vázquez, L Barrios, M Márquez-Mijares, T González-Lezana
Revista Cubana de Física 34 (1), 38-40, 2017
2017
Modelo estadístico cuántico para el estudio de las reacciones átomo-diátom
R García-Vázquez, L Barrios, M Márquez-Mijares, T González-Lezana
Sociedad cubana de física, 2017
2017
Scattering study of the Ne+ NeH {sup+}(v {sub 0}= 0, j {sub 0}= 0)→ NeH {sup+}+ Ne reaction on an ab initio based analytical potential energy surface
D Koner, L Barrios, T González-Lezana
Journal of Chemical Physics 144 (3), 2016
2016
Eley-Rideal Effective Section in Nitrogen Recombination on Tungsten (100)
L Barrios-Herrera, E Quintas-Sánchez, L Martin-Gondre, P Larrégaray, ...
Revista Cubana de Física 28 (1E), 1-61-1E65, 2011
2011
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Articles 1–16