| Ab initio calculations for spin-gaps of non-heme iron complexes QM Phung, C Martin-Fernandez, JN Harvey, M Feldt Journal of chemical theory and computation 15 (8), 4297-4304, 2019 | 35 | 2019 |
| Modulating the proton affinity of silanol and siloxane derivatives by tetrel bonds C Martín-Fernández, MM Montero-Campillo, I Alkorta, J Elguero The Journal of Physical Chemistry A 121 (39), 7424-7431, 2017 | 19 | 2017 |
| Energetics of Non-Heme Iron Reactivity: Can Ab Initio Calculations Provide the Right Answer? M Feldt, C Martín-Fernández, J Harvey Physical Chemistry Chemical Physics, 2020 | 17 | 2020 |
| Large Proton‐Affinity Enhancements Triggered by Noncovalent Interactions C Martín‐Fernández, MM Montero‐Campillo, I Alkorta, M Yáñez, O Mó, ... Chemistry–A European Journal 24 (8), 1971-1977, 2018 | 17 | 2018 |
| Hydrogen-Bonding Acceptor Character of Be3, the Beryllium Three-Membered Ring I Alkorta, C Martín-Fernández, MM Montero-Campillo, J Elguero The Journal of Physical Chemistry A 122 (5), 1472-1478, 2018 | 13 | 2018 |
| Ferrocene and Silicon-Containing Oxathiacrown Macrocycles and Linear Oligo-Oxathioethers Obtained via Thiol–Ene Chemistry of a Redox-Active Bifunctional Vinyldisiloxane S Bruna, I Martinez-Montero, AM Gonzalez-Vadillo, C Martin-Fernandez, ... Macromolecules 48 (19), 6955-6969, 2015 | 13 | 2015 |
| Weak interactions and cooperativity effects on disiloxane: A look at the building block of silicones C Martín-Fernández, MM Montero-Campillo, I Alkorta, J Elguero Molecular Physics 116 (12), 1539-1550, 2018 | 10 | 2018 |
| On the use of normalized metrics for density sensitivity analysis in DFT C Martín-Fernández, JN Harvey The Journal of Physical Chemistry A 125 (21), 4639-4652, 2021 | 8 | 2021 |
| Iron-Catalyzed Kumada Cross-Coupling Reaction Involving Fe8Me12– and Related Clusters: A Computational Study A Daru, C Martin-Fernandez, JN Harvey Acs Catalysis 12 (20), 12678-12688, 2022 | 2 | 2022 |
| Stand up for Electrostatics: The Disiloxane Case C Martín‐Fernández, I Alkorta, MM Montero‐Campillo, J Elguero ChemPhysChem 23 (9), e202200088, 2022 | 2 | 2022 |
| Metastable Charged Dimers in Organometallic Species: A Look into Hydrogen Bonding between Metallocene Derivatives C Martín-Fernández, M Ferrer, I Alkorta, MM Montero-Campillo, J Elguero, ... Inorganic Chemistry 62 (40), 16523-16537, 2023 | 1 | 2023 |
| Hydrogen Bonds Are Never of an “Anti-electrostatic” Nature: A Brief Tour of a Misleading Nomenclature C Martín-Fernández, MM Montero-Campillo, I Alkorta The Journal of Physical Chemistry Letters 15 (15), 4105-4110, 2024 | | 2024 |
| Model–state-of-the-art modelling and computational analysis of reactive sites: general discussion B Chanbasha, M Costas, J Echeverría, O Eisenstein, M Greenhalgh, ... Faraday Discussions 244, 336-355, 2023 | | 2023 |
| Measure–understanding of structural and electronic changes occurring within the relevant timescale of catalytic systems: general discussion KM Altus, T Beweries, NR Champness, A Duhme-Klair, O Eisenstein, ... Faraday Discussions 244, 210-221, 2023 | | 2023 |
| On the limits of ab initio and DFT methods for bioinorganic iron models C Martín-Fernández KU Leuven, 2021 | | 2021 |
M. Merced Montero-CampilloUniversidad Autónoma de MadridDirección de correo verificada de uam.es
