Rong-zhen B. Liao

1037 Luoyu Road
Wuhan, 430074, China

Last Updated: 09/26/2026

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Found 90 publications

How Ligand Protonation and Hydrogen Bonding Govern Oxygen Reduction Reaction Selectivity by a Dinuclear Copper Catalyst: Insights from DFT Calculations.

How Ligand Protonation and Hydrogen Bonding Govern Oxygen Reduction Reaction Selectivity by a Dinuclear Copper Catalyst: Insights from DFT Calculations.

Journal: Inorganic chemistry

Published: June 29, 2026

Influence of the Conjugated Structure of Redox Ligands on the PCET Process in Water Oxidation Reactions.

Influence of the Conjugated Structure of Redox Ligands on the PCET Process in Water Oxidation Reactions.

Journal: Inorganic chemistry

Published: June 03, 2026

Machine Learning Accelerated Computational Design of Bio-Inspired Catalysts in the Nitrogen Reduction Reaction.

Machine Learning Accelerated Computational Design of Bio-Inspired Catalysts in the Nitrogen Reduction Reaction.

Journal: Advanced materials (Deerfield Beach, Fla.)

Published: January 28, 2026

Reduction of Nitrite to NO on a Molybdenum-Thiolate Platform and Protonation of the Anionic Nitrosyl Complex.

Reduction of Nitrite to NO on a Molybdenum-Thiolate Platform and Protonation of the Anionic Nitrosyl Complex.

Journal: Inorganic chemistry

Published: January 28, 2026

DFT MD Simulations Decode the Role of Explicit Solvation in Spin-Dependent O-O Bond Formation for a High-Valent Mn4 Catalyst.

DFT MD Simulations Decode the Role of Explicit Solvation in Spin-Dependent O-O Bond Formation for a High-Valent Mn4 Catalyst.

Journal: Inorganic chemistry

Published: December 05, 2025

Theoretical Study on Photocatalytic CO2 Reduction to Formate by a Ruthenium CNC Pincer Complex.

Theoretical Study on Photocatalytic CO2 Reduction to Formate by a Ruthenium CNC Pincer Complex.

Journal: The journal of physical chemistry. A

Published: August 26, 2025

Computational Study of Cobalamin-Dependent Epoxyqueuosine Reductase: Formation of a Key Organometallic Intermediate with a "Stable-Yet-Fragile" Co-C Bond.

Computational Study of Cobalamin-Dependent Epoxyqueuosine Reductase: Formation of a Key Organometallic Intermediate with a "Stable-Yet-Fragile" Co-C Bond.

Journal: Inorganic chemistry

Published: July 30, 2025

Organocatalytic Kinetic Resolution of Ferroceno[c]isoquinolines through Asymmetric Transfer Hydrogenation.

Organocatalytic Kinetic Resolution of Ferroceno[c]isoquinolines through Asymmetric Transfer Hydrogenation.

Journal: JACS Au

Published: June 05, 2025

Mechanistic Insights into Choline Degradation Catalyzed by the Choline Trimethylamine-Lyase CutC.

Mechanistic Insights into Choline Degradation Catalyzed by the Choline Trimethylamine-Lyase CutC.

Journal: The journal of physical chemistry. B

Published: May 27, 2025

Reaction Mechanism and Metal Selectivity of Human SAMHD1 Elucidated by QM/MM Calculations.

Reaction Mechanism and Metal Selectivity of Human SAMHD1 Elucidated by QM/MM Calculations.

Journal: ACS catalysis

Published: March 13, 2025

Theoretical Study on the Mechanism of the Electrocatalytic CO2 Reduction to Formate by an Iron Schiff Base Complex.

Theoretical Study on the Mechanism of the Electrocatalytic CO2 Reduction to Formate by an Iron Schiff Base Complex.

Journal: Inorganic chemistry

Published: February 26, 2025

Methylations with methanol via bioinspired catalytic C-O bond cleavage.

Methylations with methanol via bioinspired catalytic C-O bond cleavage.

Journal: Nature communications

Published: January 19, 2025

Showing 1-12 of 90

Last Updated: 09/26/2026