Lili Cao

2PUBLICATIONS
9CO-AUTHORS
Theoretical quantum chemistryMetal cluster chemistry
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Publications (2)

|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

|Aug 03, 2022
Proton Transfer Pathways in Nitrogenase with and without Dissociated S2B.

Hao Jiang, Oskar K G Svensson, Lili Cao

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