Electronegativity and redox reactions RA Miranda-Quintana, MM González, PW Ayers Physical Chemistry Chemical Physics 18 (32), 22235-22243, 2016 | 52 | 2016 |
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 | 22 | 2019 |
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 | 22 | 2017 |
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 |
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 | 14 | 2018 |
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 | 12 | 2019 |
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 | 8 | 2019 |
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 | 7 | 2018 |
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 | 7 | 2016 |
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 | 6 | 2017 |
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 | 4 | 2015 |
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 | 4 | 2013 |
1, 3 Dipolar Cycloaddition of Münchnones: Factors behind the Regioselectivity M Bocalandro, JJ González Armesto, LA Montero-Cabrera, ... The Journal of Physical Chemistry A, 2023 | 2 | 2023 |
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 | 2 | 2018 |
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 | 1 | 2024 |
Can we predict ambident regioselectivity using the chemical hardness? RA Miranda-Quintana, A Vela, F De Proft, MM Gonzalez, JL Gázquez Physical Chemistry Chemical Physics, 2023 | 1 | 2023 |