Martin Srnec

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 22

Top Topics

Aqueous Solution

Density Functional Theory

Electron Transfer

Molecular Dynamics

Top Venues

Journal of the American Chemical Society

Physical chemistry chemical physics : PCCP

Chemical science

Dalton transactions (Cambridge, England : 2003)

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

Publications

Zuzanna Wojdyla, Mauricio Maldonado-Domínguez, Priyam Bharadwaz, Martin Culka, Martin Srnec
Elucidation of factors shaping reactivity of 5'-deoxyadenosyl - a prominent organic radical in biology. Physical chemistry chemical physics : PCCP (2024)
Zuzanna Wojdyla, Martin Srnec
Radical ligand transfer: mechanism and reactivity governed by three-component thermodynamics. Chemical science 15 (22) (2024)
Zuzanna Wojdyla, Martin Srnec
Radical ligand transfer: mechanism and reactivity governed by three-component thermodynamics. Chemical science 15 (22) (2024)
Zuzanna Wojdyla, Mauricio Maldonado-Domínguez, Priyam Bharadwaz, Martin Culka, Martin Srnec
Elucidation of factors shaping reactivity of 5'-deoxyadenosyl - a prominent organic radical in biology. Physical chemistry chemical physics : PCCP 26 (30) (2024)
Mauricio Maldonado-Domínguez, Martin Srnec
Quantifiable polarity match effect on C-H bond cleavage reactivity and its limits in reaction design. Dalton transactions (Cambridge, England : 2003) (2023)
Mauricio Maldonado-Domínguez, Martin Srnec
Quantifiable polarity match effect on C-H bond cleavage reactivity and its limits in reaction design. Dalton transactions (Cambridge, England : 2003) 52 (5) (2023)
Priyam Bharadwaz, Mauricio Maldonado-Domínguez, Jakub Chalupský, Martin Srnec
Reactivity Factors in Catalytic Methanogenesis and Their Tuning upon Coenzyme F430 Biosynthesis. Journal of the American Chemical Society (2023)
Mauricio Maldonado-Domínguez, Martin Srnec
Quantifiable polarity match effect on C-H bond cleavage reactivity and its limits in reaction design. Dalton transactions (Cambridge, England : 2003) 52 (5) (2023)
Mauricio Maldonado-Domínguez, Martin Srnec
H-Atom Abstraction Reactivity through the Lens of Asynchronicity and Frustration with Their Counteracting Effects on Barriers. Inorganic chemistry 61 (47) (2022)
Priyam Bharadwaz, Mauricio Maldonado-Domínguez, Martin Srnec
Bifurcating reactions: distribution of products from energy distribution in a shared reactive mode. Chemical science 12 (38) (2021)
Jakub Chalupský, Martin Srnec
Beyond the Classical Contributions to Exchange Coupling in Binuclear Transition Metal Complexes. The journal of physical chemistry. A 125 (11) (2021)
Jakub Chalupský, Martin Srnec, Takeshi Yanai
Interpretation of Exchange Interaction through Orbital Entanglement. The journal of physical chemistry letters 12 (4) (2021)
Daniel Bím, Santiago Alonso-Gil, Martin Srnec
From Synthetic to Biological Fe4 S4 Complexes: Redox Properties Correlated to Function of Radical S-Adenosylmethionine Enzymes. ChemPlusChem 85 (11) (2021)
Mauricio Maldonado-Domínguez, Martin Srnec
Understanding and Predicting Post H-Atom Abstraction Selectivity through Reactive Mode Composition Factor Analysis. Journal of the American Chemical Society 142 (8) (2020)
Martin Srnec, Shyam R Iyer, Laura M K Dassama, Kiyoung Park, Shaun D Wong, Kyle D Sutherlin, Yoshitaka Yoda, Yasuhiro Kobayashi, Masayuki Kurokuzu, Makina Saito, Makoto Seto, Carsten Krebs, J Martin Bollinger, Edward I Solomon
Nuclear Resonance Vibrational Spectroscopic Definition of the Facial Triad FeIV═O Intermediate in Taurine Dioxygenase: Evaluation of Structural Contributions to Hydrogen Atom Abstraction. Journal of the American Chemical Society 142 (44) (2020)
Daniel Bím, Jakub Chalupský, Martin Culka, Edward I Solomon, Lubomír Rulíšek, Martin Srnec
Proton-Electron Transfer to the Active Site Is Essential for the Reaction Mechanism of Soluble Δ9-Desaturase. Journal of the American Chemical Society 142 (23) (2020)
Erik Andris, Rafael Navrátil, Juraj Jašík, Martin Srnec, Mònica Rodríguez, Miquel Costas, Jana Roithová
M-O Bonding Beyond the Oxo Wall: Spectroscopy and Reactivity of Cobalt(III)-Oxyl and Cobalt(III)-Oxo Complexes. Angewandte Chemie (International ed. in English) 58 (28) (2019)
Mauricio Maldonado-Domínguez, Daniel Bím, Radek Fučík, Roman Čurík, Martin Srnec
Reactive mode composition factor analysis of transition states: the case of coupled electron-proton transfers. Physical chemistry chemical physics : PCCP 21 (45) (2019)
Martin Srnec, Rafael Navrátil, Erik Andris, Juraj Jašík, Jana Roithová
Experimentally Calibrated Analysis of the Electronic Structure of CuO+ : Implications for Reactivity. Angewandte Chemie (International ed. in English) 57 (52) (2018)
Kiyoung Park, Ning Li, Yeonju Kwak, Martin Srnec, Caleb B Bell, Lei V Liu, Shaun D Wong, Yoshitaka Yoda, Shinji Kitao, Makoto Seto, Michael Hu, Jiyong Zhao, Carsten Krebs, J Martin Bollinger, Edward I Solomon
Peroxide Activation for Electrophilic Reactivity by the Binuclear Non-heme Iron Enzyme AurF. Journal of the American Chemical Society 139 (20) (2017)
Erik Andris, Rafael Navrátil, Juraj Jašík, Thibault Terencio, Martin Srnec, Miquel Costas, Jana Roithová
Chasing the Evasive Fe═O Stretch and the Spin State of the Iron(IV)-Oxo Complexes by Photodissociation Spectroscopy. Journal of the American Chemical Society 139 (7) (2017)
Martin Srnec, Edward I Solomon
Frontier Molecular Orbital Contributions to Chlorination versus Hydroxylation Selectivity in the Non-Heme Iron Halogenase SyrB2. Journal of the American Chemical Society 139 (6) (2017)