Study of proton-coupled electron transfer (PCET) with four explicit diabatic states at the ab initio level

Study of proton-coupled electron transfer (PCET) with four explicit diabatic states at the ab initio level

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 1116, 15 September 2017, Pages 50-58

Huaiyu Zhang, Wei Wu, Yirong Mo,