Shuqiang Niu

Reduction potential calculations of the Fe–S clusters in Thermus thermophilus respiratory complex I

Toshiko Ichiye, Kelly N. Tran, Shuqiang Niu, 2019, J. Comput. Chem..

Calculating standard reduction potentials of [4Fe–4S] proteins

Toshiko Ichiye, Shuqiang Niu, Bradley Scott Perrin, 2013, J. Comput. Chem..

Comparison of Hartree−Fock, Density Functional, Møller−Plesset Perturbation, Coupled Cluster, and Configuration Interaction Methods for the Migratory Insertion of Nitric Oxide into a Cobalt−Carbon Bond

Michael B. Hall, Shuqiang Niu, 1997 .

On the electronic structures of gaseous transition metal halide complexes, FeX4− and MX3−(M=Mn, Fe, Co, Ni, X=Cl, Br), using photoelectron spectroscopy and density functional calculations

Xin Yang, Toshiko Ichiye, Shuqiang Niu, 2003 .

Combined Quantum Chemistry and Photoelectron Spectroscopy Study of the Electronic Structure and Reduction Potentials of Rubredoxin Redox Site Analogues

Jeffrey A. Nichols, Toshiko Ichiye, Shuqiang Niu, 2003 .

Theoretical Characterization of the Reaction Intermediates in a Model of the Nickel−Iron Hydrogenase of Desulfovibrio gigas

Michael B. Hall, Shuqiang Niu, S. Niu, 1999 .

Probing the intrinsic electronic structure of the cubane [4Fe-4S] cluster: nature's favorite cluster for electron transfer and storage.

Xin Yang, Toshiko Ichiye, Shuqiang Niu, 2003, Journal of the American Chemical Society.