Carlos Martín-Fernández

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 9

Top Topics

Iron Deficiency

Density Functional Theory

Electron Transfer

Top Venues

Chemphyschem : a European journal of chemical physics and physical chemistry

Faraday discussions

Physical chemistry chemical physics : PCCP

Inorganic chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Carlos Martín-Fernández, Jose Elguero, Ibon Alkorta
Beryllium as a Base: Complexes of Be(CO) 3 with HX (X=F, Cl, Br, CN, NC, CCH, OH). Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Basheer Chanbasha, Miquel Costas, Jorge Echeverría, Odile Eisenstein, Mark Greenhalgh, Pierre Kennepohl, Adam Kirrander, Pim R Linnebank, Stuart A Macgregor, Kamran T Mahmudov, Carlos Martín-Fernández, Eva Meeus, Josh Morris, Robin N Perutz, Albert Poater, Joost N H Reek, Ian Rouse, Dean Toste, Cristina Trujillo, Thomas R Ward, Julia A Weinstein, Andrew S Weller
Model - state-of-the-art modelling and computational analysis of reactive sites: general discussion. Faraday discussions (2023)
Carlos Martín-Fernández, Maxime Ferrer, Ibon Alkorta, M Merced Montero-Campillo, Jose Elguero, Marcos Mandado
Metastable Charged Dimers in Organometallic Species: A Look into Hydrogen Bonding between Metallocene Derivatives. Inorganic chemistry (2023)
Kristof M Altus, Torsten Beweries, Neil R Champness, Anne Duhme-Klair, Odile Eisenstein, Rens Ham, Lauren E Hatcher, Sonja Herres-Pawlis, Chloe L Johnson, Pierre Kennepohl, Pim R Linnebank, Wei-Chun Liu, Stuart A Macgregor, Kamran T Mahmudov, Carlos Martín-Fernández, Pinkie Ntola, Robin N Perutz, Paul R Raithby, Joost N H Reek, Julia A Weinstein, Andrew S Weller
Measure - understanding of structural and electronic changes occurring within the relevant timescale of catalytic systems: general discussion. Faraday discussions (2023)
Carlos Martín-Fernández, Ibon Alkorta, M Merced Montero-Campillo, Jose Elguero
Stand up for Electrostatics: The Disiloxane Case. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (9) (2022)
Carlos Martín-Fernández, Jeremy N Harvey
On the Use of Normalized Metrics for Density Sensitivity Analysis in DFT. The journal of physical chemistry. A 125 (21) (2021)
Milica Feldt, Carlos Martín-Fernández, Jeremy N Harvey
Energetics of non-heme iron reactivity: can ab initio calculations provide the right answer? Physical chemistry chemical physics : PCCP 22 (41) (2020)
Quan Manh Phung, Carlos Martín-Fernández, Jeremy N Harvey, Milica Feldt
Ab Initio Calculations for Spin-Gaps of Non-Heme Iron Complexes. Journal of chemical theory and computation 15 (8) (2019)
Carlos Martín-Fernández, M Merced Montero-Campillo, Ibon Alkorta, Manuel Yáñez, Otilia Mó, Jose Elguero
Large Proton-Affinity Enhancements Triggered by Noncovalent Interactions. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (8) (2018)