Open AccessAb Initio Electronic Structure Calculation of [4Fe-3S] Cluster of Hydrogenase as Dihydrogen Dissociation/Production Catalyst
Author(s) -
Jae Hyun Kim,
Jiyoung Kang,
Hiroshi Nishigami,
Hiori Kino,
Masaru Tateno
Publication year - 2018
Publication title -
journal of the physical society of japan
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.76
H-Index - 139
eISSN - 1347-4073
pISSN - 0031-9015
DOI - 10.7566/jpsj.87.034804
Subject(s) - hydrogenase , catalysis , dissociation (chemistry) , ab initio , homo/lumo , cluster (spacecraft) , delocalized electron , electronic structure , chemistry , photochemistry , crystallography , molecule , materials science , computational chemistry , organic chemistry , computer science , programming language