Hao Jiang

12PUBLICATIONS
12CO-AUTHORS
Chemical thermodynamics and energeticsBioinorganic chemistryMetal cluster chemistryTheoretical quantum chemistryFree radical chemistry
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Publications (12)

|Jan 31, 2025
Impact of Varying Velocities and Solvation Boxes on Alchemical Free-Energy Simulations.

Meiting Wang, Hao Jiang, Ulf Ryde

|Aug 14, 2024
Reaction Mechanism for CO Reduction by Mo-Nitrogenase Studied by QM/MM.

Hao Jiang, Ulf Ryde

|Jun 25, 2024
Putative reaction mechanism of nitrogenase with a half-dissociated S2B ligand.

Hao Jiang, Ulf Ryde

|Dec 18, 2023
H<sub>2</sub> formation from the E<sub>2</sub>-E<sub>4</sub> states of nitrogenase.

Hao Jiang, Ulf Ryde

|Nov 21, 2023
Protonation of Homocitrate and the E<sub>1</sub> State of Fe-Nitrogenase Studied by QM/MM Calculations.

Hao Jiang, Kristoffer J M Lundgren, Ulf Ryde

|Jul 24, 2023
Assessment of DFT functionals for a minimal nitrogenase [Fe(SH)4H]- model employing state-of-the-art ab initio methods.

Victor P Vysotskiy, Magne Torbjörnsson, Hao Jiang

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