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Luis López-Sosa
Luis López-Sosa
Departamento de Química (Cinvestav)
Dirección de correo verificada de uabc.edu.mx
Título
Citado por
Citado por
Año
Molecular simulations with in-deMon2k QM/MM, a tutorial-review
A de La Lande, A Alvarez-Ibarra, K Hasnaoui, F Cailliez, X Wu, T Mineva, ...
Molecules 24 (9), 1653, 2019
432019
Evolution of the Spin Magnetic Moments and Atomic Valence of Vanadium in VCux+, VAgx+, and VAux+ Clusters (x = 3–14)
WH Blades, AC Reber, SN Khanna, L López-Sosa, P Calaminici, ...
The Journal Of Physical Chemistry A 121 (15), 2990-2999, 2017
342017
First-principles investigation of adsorption and dissociation of molecular oxygen on pure Pd, Ni-doped Pd and NiPd alloy clusters
H Cruz-Martínez, L López-Sosa, O Solorza-Feria, P Calaminici
international journal of hydrogen energy 42 (51), 30310-30317, 2017
162017
Nickel and copper doped palladium clusters from a first‐principles perspective
L López‐Sosa, H Cruz‐Martínez, O Solorza‐Feria, P Calaminici
International Journal of Quantum Chemistry 119 (22), e26013, 2019
102019
A new route for the synthesis of ammonium thiotungstate, a catalyst precursor
K Vega-Granados, M Del Valle, A Licea-Claverie, G Alonso-Núñez, ...
Catalysis Letters 147, 1339-1346, 2017
82017
Stability and catalytic properties of Pt–Ni clusters supported on pyridinic N-doped graphene nanoflakes: An auxiliary density functional theory study
H Cruz-Martínez, H Rojas-Chávez, MA Valdés-Madrigal, L López-Sosa, ...
Theoretical Chemistry Accounts 141 (9), 46, 2022
62022
QM/MM with auxiliary DFT in deMon2k
JD Samaniego-Rojas, LI Hernández-Segura, L López-Sosa, ...
52021
Isomerization Reactions of the Cu15V+ Cluster: A Density Functional Theory Study
L López-Sosa, JA Sanchez-Álvarez, P Calaminici
The Journal of Physical Chemistry A 126 (16), 2463-2470, 2022
32022
Cartesian constraints in QM/MM optimizations
L López‐Sosa, P Calaminici, AM Köster
Journal of Computational Chemistry 44 (30), 2358-2368, 2023
22023
Stability and activity of PdCu clusters embedded on pyridinic N-doped graphene: a density functional theory investigation
D Ruiz-Villalobos, L López-Sosa, B García-Hilerio, P Calaminici, ...
Molecular Physics 121 (5), e2192826, 2023
12023
Cycloaddition reactions via “on water” protocol reactions: A density functional theory study
L López‐Sosa, P Calaminici
Journal of Computational Chemistry 45 (10), 595-609, 2024
2024
Spin Moments and Stability of VCun Clusters: The curious case of VCu, VCu, and VCu
W Blades, A Reber, S Khanna, L Sosa, P Calaminici, A Koster
Bulletin of the American Physical Society 61, 2016
2016
Spin Moments and Stability of VCun+ Clusters: The curious case of VCu< msubsup> 4+, VCu< msubsup> 8+, and VCu< msubsup> 12+
W Blades, A Reber, S Khanna, L Sosa, P Calaminici, A Koster
APS March Meeting Abstracts 2016, X6. 010, 2016
2016
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