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ACS Catalysis|August 20, 2021
Local Electric Fields as a Natural Switch of Heme-Iron Protein ReactivityDaniel Bím, Anastassia N Alexandrova
Chemical Science|October 20, 2021
Electrostatic regulation of blue copper sitesDaniel Bím, Anastassia N Alexandrova
The Journal of Physical Chemistry Letters|December 10, 2015
Accurate Prediction of One-Electron Reduction Potentials in Aqueous Solution by Variable-Temperature H-Atom Addition/Abstraction MethodologyDaniel Bím, Lubomír Rulíšek, Martin Srnec
Chempluschem|November 27, 2020
From Synthetic to Biological Fe<sub>4</sub> S<sub>4</sub> Complexes: Redox Properties Correlated to Function of Radical S-Adenosylmethionine EnzymesDaniel Bím, Santiago Alonso-Gil, Martin Srnec
Journal of Chemical Information and Modeling|November 29, 2017
Macrocycle Conformational Sampling by DFT-D3/COSMO-RS MethodologyOndrej Gutten, Daniel Bím, Jan Řezáč, et al.
Journal of Chemical Theory and Computation|February 21, 2018
Toward Accurate Conformational Energies of Smaller Peptides and Medium-Sized Macrocycles: MPCONF196 Benchmark Energy Data SetJan Řezáč, Daniel Bím, Ondrej Gutten, et al.
Proceedings of the National Academy of Sciences of the United States of America|September 27, 2018
Beyond the classical thermodynamic contributions to hydrogen atom abstraction reactivityDaniel Bím, Mauricio Maldonado-Domínguez, Lubomír Rulíšek, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 17, 2016
Copper(II) and Zinc(II) Complexes of Conformationally Constrained Polyazamacrocycles as Efficient Catalysts for RNA Model Substrate Cleavage in Aqueous Solution at Physiological pHDaniel Bím, Eva Svobodová, Václav Eigner, 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.
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.
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