Calculated details of a mechanism for conversion of N-2 to NH3 at the FeMo cluster of nitrogenase

被引：73

作者：

Dance, I

机构：

[1] School of Chemistry, University of New South Wales, Sydney

来源：

CHEMICAL COMMUNICATIONS | 1997年 / 02期

关键词：

D O I：

10.1039/a607136h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Density functional calculations mapping the geometry/energy hypersurface of the Fe7MoS9(S-cysteine) (homocitrate)(histidine) cluster in nitrogenase and its binding of N-2, H+, e(-) and N-H intermediates reveal mechanistic details for the formation of NH3.

引用

页码：165 / 166

页数：2