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Marco Martínez González
Marco Martínez González
Verified email at mcmaster.ca
Title
Cited by
Cited by
Year
Electronegativity and redox reactions
RA Miranda-Quintana, MM González, PW Ayers
Physical Chemistry Chemical Physics 18 (32), 22235-22243, 2016
542016
Assessing How Correlated Molecular Orbital Calculations Can Perform versus Kohn–Sham DFT: Barrier Heights/Isomerizations
AJC Varandas, M Martínez González, LA Montero‐Cabrera, ...
Chemistry-A European Journal 23 (38), 9122-9129, 2017
242017
Magnetic interaction in a 2D solid through hydrogen bonds and π-π stacking
H Osiry, M Martínez, J Rodríguez-Hernández, AA Lemus-Santana, ...
Journal of Magnetism and Magnetic Materials 471, 70-76, 2019
222019
Conceptual DFT analysis of the regioselectivity of 1,3-dipolar cycloadditions: nitrones as a case of study
CM Ramón Alain Miranda-Quintana, Marco Martínez González, David Hernández ...
Journal of Molecular Modeling 23, 236, 2017
17*2017
Role of Augmented Basis Sets and Quest for ab Initio Performance/Cost Alternative to Kohn–Sham Density Functional Theory
M Martínez González, FGD Xavier, J Li, LA Montero-Cabrera, ...
The Journal of Physical Chemistry A 124 (1), 126-134, 2019
152019
Quantitative electrophilicity measures
MM Gonzalez, C Cardenas, JI Rodríguez, S Liu, F Heidar-Zadeh, ...
物理化学学报 34 (6), 662-674, 2018
142018
Global Potential Energy Surface for HO2+ Using the CHIPR Method
FGD Xavier, MM González, AJC Varandas
The Journal of Physical Chemistry A 123 (8), 1613-1621, 2019
112019
Accurate ab initio potential for HO2+: CBS extrapolated energies and direct-fit diatomic curves
FGD Xavier, M Martínez-González, AJC Varandas
Chemical Physics Letters 691, 421-430, 2018
102018
Grid: A Python library for molecular integration, interpolation, differentiation, and more
A Tehrani, XD Yang, M Martínez-González, L Pujal, ...
The Journal of Chemical Physics 160 (17), 2024
82024
GBasis: A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions
TD Kim, L Pujal, M Richer, M van Zyl, M Martínez-González, A Tehrani, ...
The Journal of Chemical Physics 161 (4), 2024
72024
Theoretical Study on the Mechanism of the Thermal Retro-Cycloaddition of Isoxazolinofullerenes
C Morera-Boado, M Martínez González, RA Miranda-Quintana, M Suarez, ...
The Journal of Physical Chemistry A 120 (44), 8830-8842, 2016
72016
Geometrical distortions and charge transfer in munchnöne regio‐selectivity: A conceptual density functional study
M Martínez González, D Hernández‐Castillo, LA Montero‐Cabrera, ...
International Journal of Quantum Chemistry 117 (24), 2017
62017
Complexes of nitric oxide with water and imidazole
MM Gonzalez, K Bravo-Rodriguez, R Suardiaz, JMG de la Vega, ...
Theoretical Chemistry Accounts 134 (7), 88, 2015
42015
Deflation techniques in quantum chemistry: Excited states from ground states
RA Miranda‐Quintana, MM González
International Journal of Quantum Chemistry 113 (22), 2478-2488, 2013
42013
1, 3 Dipolar Cycloaddition of Münchnones: Factors behind the Regioselectivity
M Bocalandro, JJ González Armesto, LA Montero-Cabrera, ...
The Journal of Physical Chemistry A 127 (3), 645-660, 2023
32023
PyCI: A Python-scriptable library for arbitrary determinant CI
M Richer, G Sánchez-Díaz, M Martínez-González, V Chuiko, TD Kim, ...
The Journal of Chemical Physics 161 (13), 2024
22024
Can we predict ambident regioselectivity using the chemical hardness?
RA Miranda-Quintana, A Vela, F De Proft, MM González, JL Gázquez
Physical Chemistry Chemical Physics 25 (19), 13611-13622, 2023
22023
How Biochemical Environments Fine-Tune a Redox Process: From Theoretical Models to Practical Applications
G Roos, RA Miranda-Quintana, M Martínez González
The Journal of Physical Chemistry B 122 (34), 8157-8165, 2018
22018
ModelHamiltonian: A Python-scriptable library for generating 0-, 1-, and 2-electron integrals
V Chuiko, ADS Richards, G Sánchez-Díaz, M Martínez-González, ...
The Journal of Chemical Physics 161 (13), 2024
12024
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Articles 1–19