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Journal of the American Chemical Society

Volumn 124, Issue 18, 2002, Pages 5175-5182

A density functional theory study on the active center of Fe-only hydrogenase: Characterization and electronic structure of the redox states

(2) Liu, Zhi Pan a Hu, P a

a QUEEN'S UNIVERSITY BELFAST (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURES;

CHEMICAL BONDS; ENZYMES; HYDROGEN; PROBABILITY DENSITY FUNCTION;

IRON;

CARBON MONOXIDE; HYDROGENASE; IRON COMPLEX;

ARTICLE; CALCULATION; CHEMICAL BINDING; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; ELECTROCHEMICAL ANALYSIS; METAL BINDING; MOLECULAR MODEL; MOLECULAR STABILITY; OXIDATION; REACTION ANALYSIS; REDUCTION; STRUCTURE ANALYSIS; THEORY;

BINDING SITES; ELECTROCHEMISTRY; HYDROGENASE; IRON-SULFUR PROTEINS; MODELS, CHEMICAL; MODELS, MOLECULAR; OXIDATION-REDUCTION;

EID: 0037042289 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja0118690 Document Type: Article

Times cited : (174)

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