Per E. M. Siegbahn - Publications, H-index & Citations

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Per E. M. Siegbahn

stockholm university

95H-index

551Paper Count

3.5WCitation Count

Published Papers 172

Publication Date

The Intricate Mechanism of Nitric Oxide Synthase

Journal of Computational Chemistry

IF4.8

2026-08-14

OAAI

Per E. M. Siegbahn

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The Mechanism of Nitrite Reductase

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2025-03-30

OAAI

Siegbahn, Per E. M.

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Sulfide release and rebinding in the mechanism for nitrogenase

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2024-08-27

OAAI

Siegbahn, Per E. M.

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Computational modeling of redox enzymes

FEBS LETTERS

IF3

2022-10-25

OAAI

Siegbahn, Per E. M.

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A Mechanism for Nitrogenase Including Loss of a Sulfide

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2022-02-02

OAAI

Wei, Wen-Jie; Siegbahn, Per E. M.

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Antiferromagnetically coupled [Fe8S9] cluster catalyzed acetylene reduction in a nitrogenase-like enzyme DCCPCh: Insights from QM/MM calculations

JOURNAL OF CATALYSIS

IF6.5

2021-06-01

PREAI

Liao, Rong-Zhen; Zhang, Jing-Xuan; Lin, Zhenyang; Siegbahn, Per E. M.

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The activeE4structure of nitrogenase studied with differentDFTfunctionals

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2020-10-14

OAAI

Wei, Wen-Jie; Siegbahn, Per E. M.

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Insights into the Chemical Reactivity in Acetyl-CoA Synthase

INORGANIC CHEMISTRY

IF4.7

2020-10-05

PREAI

Chen, Shi-Lu; Siegbahn, Per E. M.

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Harnessing Noninnocent Porphyrin Ligand to Circumvent Fe-Hydride Formation in the Selective Fe-Catalyzed CO2 Reduction in Aqueous Solution

ACS CATALYSIS

IF13.1

2020-05-08

PREAI

Zhang, Ya-Qiong; Chen, Jia-Yi; Siegbahn, Per E. M.; Liao, Rong-Zhen

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The Energetics of Hydrogen Molecule Oxidation in NiFe-hydrogenase

ACS CATALYSIS

IF13.1

2020-04-16

OAAI

Siegbahn, Per E. M.; Liao, Rong-Zhen

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Theoretical Studies of Nickel-Dependent Enzymes

INORGANICS

IF3

2019-07-29

OAAI

Siegbahn, Per E. M.; Chen, Shi-Lu; Liao, Rong-Zhen

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Energetics for the Mechanism of Nickel-Containing Carbon Monoxide Dehydrogenase

INORGANIC CHEMISTRY

IF4.7

2019-05-29

PREAI

Liao, Rong-Zhen; Siegbahn, Per E. M.

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Quantum Chemical Study of the Mechanism of Water Oxidation Catalyzed by a Heterotrinuclear Ru2Mn Complex

CHEMSUSCHEM

IF6.6

2019-02-05

PREAI

Li, Ying-Ying; Gimbert, Carolina; Llobet, Antoni; Siegbahn, Per E. M.; Liao, Rong-Zhen

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A Systematic DFT Approach for Studying Mechanisms of Redox Active Enzymes

FRONTIERS IN CHEMISTRY

IF4.2

2018-12-21

OAAI

Siegbahn, Per E. M.; Blomberg, Margareta R. A.

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Mechanism of the Dinuclear Iron Enzyme p-Aminobenzoate N-oxygenase from Density Functional Calculations

CHEMCATCHEM

IF3.9

2018-11-28

PREAI

Wei, Wen-Jie; Siegbahn, Per E. M.; Liao, Rong-Zhen

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Metal Oxidation States for the O-O Bond Formation in the Water Oxidation Catalyzed by a Pentanuclear Iron Complex

ACS CATALYSIS

IF13.1

2018-11-02

PREAI

Liao, Rong-Zhen; Masaoka, Shigeyuki; Siegbahn, Per E. M.

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Metal-Ligand Cooperation in Single-Site Ruthenium Water Oxidation Catalysts: A Combined Experimental and Quantum Chemical Approach

INORGANIC CHEMISTRY

IF4.7

2018-08-22

PREAI

Karkas, Markus D.; Li, Ying-Ying; Siegbahn, Per E. M.; Liao, Rong-Zhen; Akermark, Bjorn

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A Major Structural Change of the Homocitrate Ligand of Probable Importance for the Nitrogenase Mechanism

INORGANIC CHEMISTRY

IF4.7

2018-01-05

PREAI

Siegbahn, Per E. M.

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Is there computational support for an unprotonated carbon in the E4 state of nitrogenase?

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2017-12-18

PREAI

Siegbahn, Per E. M.

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Quantum Chemical Modeling of Homogeneous Water Oxidation Catalysis

CHEMSUSCHEM

IF6.6

2017-10-19

OAAI

Liao, Rong-Zhen; Siegbahn, Per E. M.

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Research Directions