Per E M Siegbahn

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 40

Top Topics

Electron Transfer

Molecular Dynamics

Anaerobic Digestion

Top Venues

The journal of physical chemistry. B

Physical chemistry chemical physics : PCCP

Journal of computational chemistry

Inorganic chemistry

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

Publications

Per E M Siegbahn, Wen-Jie Wei
The energetics of N 2 reduction by vanadium containing nitrogenase. Physical chemistry chemical physics : PCCP 26 (3) (2024)
Per E M Siegbahn
Computational Model Study of the Experimentally Suggested Mechanism for Nitrogenase. The journal of physical chemistry. B (2024)
Per E M Siegbahn
Computational Model Study of the Experimentally Suggested Mechanism for Nitrogenase. The journal of physical chemistry. B 128 (4) (2024)
Per E M Siegbahn
Mechanisms for Methane and Ammonia Oxidation by Particulate Methane Monooxygenase. The journal of physical chemistry. B (2024)
Per E M Siegbahn
Computational Model Study of the Experimentally Suggested Mechanism for Nitrogenase. The journal of physical chemistry. B 128 (4) (2024)
Per E M Siegbahn
Computational Model Study of the Experimentally Suggested Mechanism for Nitrogenase. The journal of physical chemistry. B 128 (4) (2024)
Per E M Siegbahn
Mechanisms for Methane and Ammonia Oxidation by Particulate Methane Monooxygenase. The journal of physical chemistry. B 128 (24) (2024)
Per E M Siegbahn, Wen-Jie Wei
The energetics of N 2 reduction by vanadium containing nitrogenase. Physical chemistry chemical physics : PCCP 26 (3) (2024)
Per E M Siegbahn
Mechanisms for Methane and Ammonia Oxidation by Particulate Methane Monooxygenase. The journal of physical chemistry. B 128 (24) (2024)
Per E M Siegbahn, Wen-Jie Wei
The energetics of N 2 reduction by vanadium containing nitrogenase. Physical chemistry chemical physics : PCCP 26 (3) (2024)
Per E M Siegbahn
Sulfide release and rebinding in the mechanism for nitrogenase. Journal of computational chemistry (2024)
Per E M Siegbahn
Computational Model Study of the Experimentally Suggested Mechanism for Nitrogenase. The journal of physical chemistry. B 128 (4) (2024)
Per E M Siegbahn
Mechanisms for Methane and Ammonia Oxidation by Particulate Methane Monooxygenase. The journal of physical chemistry. B 128 (24) (2024)
Per E M Siegbahn
Can the E 1 state in nitrogenase tell if there is an activation process prior to catalysis? Physical chemistry chemical physics : PCCP 25 (5) (2023)
Per E M Siegbahn
How Protons Move in Enzymes─The Case of Nitrogenase. The journal of physical chemistry. B 127 (10) (2023)
Per E M Siegbahn, Wen-Jie Wei
The energetics of N 2 reduction by vanadium containing nitrogenase. Physical chemistry chemical physics : PCCP (2023)
Yu-Tian Song, Xi-Chen Li, Per E M Siegbahn
Is There a Different Mechanism for Water Oxidation in Higher Plants? The journal of physical chemistry. B (2023)
Per E M Siegbahn
How Protons Move in Enzymes─The Case of Nitrogenase. The journal of physical chemistry. B 127 (10) (2023)
Per E M Siegbahn
Can the E 1 state in nitrogenase tell if there is an activation process prior to catalysis? Physical chemistry chemical physics : PCCP 25 (5) (2023)
Per E M Siegbahn
How Protons Move in Enzymes─The Case of Nitrogenase. The journal of physical chemistry. B (2023)
Per E M Siegbahn
Can the E 1 state in nitrogenase tell if there is an activation process prior to catalysis? Physical chemistry chemical physics : PCCP (2023)
Per E M Siegbahn
The mechanism for N 2 activation in the E 4 - state of nitrogenase. Physical chemistry chemical physics : PCCP (2023)
Per E M Siegbahn
How Protons Move in Enzymes─The Case of Nitrogenase. The journal of physical chemistry. B 127 (10) (2023)
Per E M Siegbahn
How Protons Move in Enzymes─The Case of Nitrogenase. The journal of physical chemistry. B 127 (10) (2023)
Per E M Siegbahn
Can the E 1 state in nitrogenase tell if there is an activation process prior to catalysis? Physical chemistry chemical physics : PCCP 25 (5) (2023)
Yun-Jie Pang, Xi-Chen Li, Per E M Siegbahn, Guang-Ju Chen, Hong-Wei Tan
Theoretical Study of the Catalytic Mechanism of the Cu-Only Superoxide Dismutase. The journal of physical chemistry. B (2023)
Wen-Jie Wei, Per E M Siegbahn
A Mechanism for Nitrogenase Including Loss of a Sulfide. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (12) (2022)
Per E M Siegbahn
Computational modeling of redox enzymes. FEBS letters (2022)
Per E M Siegbahn
Energetics for CO 2 Reduction by Molybdenum-Containing Formate Dehydrogenase. The journal of physical chemistry. B 126 (8) (2022)
Per E M Siegbahn
A quantum chemical approach for the mechanisms of redox-active metalloenzymes. RSC advances 11 (6) (2021)
Per E M Siegbahn, Rong-Zhen Liao
Energetics for Proton Reduction in FeFe Hydrogenase. The journal of physical chemistry. A 124 (50) (2020)
Per E M Siegbahn
Theoretical Study of O2 Reduction and Water Oxidation in Multicopper Oxidases. The journal of physical chemistry. A 124 (28) (2020)
Xi-Chen Li, Jing Li, Per E M Siegbahn
A Theoretical Study of the Recently Suggested MnVII Mechanism for O-O Bond Formation in Photosystem II. The journal of physical chemistry. A 124 (39) (2020)
Wen-Jie Wei, Per E M Siegbahn
The active E4 structure of nitrogenase studied with different DFT functionals. Journal of computational chemistry 42 (2) (2020)
Shi-Lu Chen, Per E M Siegbahn
Insights into the Chemical Reactivity in Acetyl-CoA Synthase. Inorganic chemistry 59 (20) (2020)
Per E M Siegbahn
The mechanism for nitrogenase including all steps. Physical chemistry chemical physics : PCCP 21 (28) (2019)
Rong-Zhen Liao, Per E M Siegbahn
Energetics for the Mechanism of Nickel-Containing Carbon Monoxide Dehydrogenase. Inorganic chemistry 58 (12) (2019)
Per E M Siegbahn
A Major Structural Change of the Homocitrate Ligand of Probable Importance for the Nitrogenase Mechanism. Inorganic chemistry 57 (3) (2018)
Per E M Siegbahn
Is there computational support for an unprotonated carbon in the E4 state of nitrogenase? Journal of computational chemistry 39 (12) (2017)
Per E M Siegbahn, Xichen Li
Cluster size convergence for the energetics of the oxygen evolving complex in PSII. Journal of computational chemistry 38 (25) (2017)