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Journal of the American Chemical Society|April 12, 2023
Reactivity Factors in Catalytic Methanogenesis and Their Tuning upon Coenzyme F430 BiosynthesisPriyam Bharadwaz, Mauricio Maldonado-Domínguez, Jakub Chalupský, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 1, 2011
Reduction potentials and acidity constants of Mn superoxide dismutase calculated by QM/MM free-energy methodsJimmy Heimdal, Markus Kaukonen, Martin Srnec, et al.Angewandte Chemie (International Ed. in English)|November 15, 2018
Experimentally Calibrated Analysis of the Electronic Structure of CuO+ : Implications for ReactivityMartin Srnec, Rafael Navrátil, Erik Andris, et al.Physical Chemistry Chemical Physics : PCCP|November 7, 2019
Reactive mode composition factor analysis of transition states: the case of coupled electron-proton transfersMauricio Maldonado-Domínguez, Daniel Bím, Radek Fučík, et al.Physical Chemistry Chemical Physics : PCCP|July 23, 2024
Elucidation of factors shaping reactivity of 5'-deoxyadenosyl - a prominent organic radical in biologyZuzanna Wojdyla, Mauricio Maldonado-Domínguez, Priyam Bharadwaz, et al.Accounts of Chemical Research|February 17, 2026
Thermodynamic Principles Behind Mechanisms and Reactivities: Hydrogen Atom Abstraction and Related Radical ReactionsMartin Srnec, Daniel Bím, Mauricio Maldonado-Domínguez, et al.Journal of the American Society for Mass Spectrometry|August 11, 2019
Chemoselectivity in the Oxidation of Cycloalkenes with a Non-Heme Iron(IV)-Oxo-Chloride Complex: Epoxidation vs. Hydroxylation SelectivityThibault Terencio, Erik Andris, Ilaria Gamba, et al.Proceedings of the National Academy of Sciences of the United States of America|August 22, 2012
π-Frontier molecular orbitals in S = 2 ferryl species and elucidation of their contributions to reactivityMartin Srnec, Shaun D Wong, Jason England, et al.Accounts of Chemical Research|September 28, 2013
Geometric and electronic structure contributions to function in non-heme iron enzymesEdward I Solomon, Kenneth M Light, Lei V Liu, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|January 10, 2018
Detection of Indistinct Fe-N Stretching Bands in Iron(V) Nitrides by Photodissociation SpectroscopyErik Andris, Rafael Navrátil, Juraj Jašík, et al.Pageof 5