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Journal of Biological Inorganic Chemistry

Volumn 16, Issue 6, 2011, Pages 831-839

The coupled-cluster description of electronic structure: Perspectives for bioinorganic chemistry

(1) Harvey, Jeremy N a

a UNIVERSITY OF BRISTOL (United Kingdom)

Author keywords

Coupled cluster theory; Metalloproteins

Indexed keywords

METALLOPROTEIN; TRANSITION ELEMENT;

ACCURACY; CHEMICAL PHENOMENA; COUPLED CLUSTER THEORY; DENSITY FUNCTIONAL THEORY; ELECTRON; ELECTRONIC STRUCTURE; ENERGY; INORGANIC CHEMISTRY; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; METAL BINDING; MOLECULAR MECHANICS; PRIORITY JOURNAL; QUANTUM MECHANICS; REVIEW;

BINDING SITES; CHEMISTRY, BIOINORGANIC; COMPUTER SIMULATION; ELECTRONS; METALLOPROTEINS; MODELS, MOLECULAR; TRANSITION ELEMENTS;

EID: 80051552371 PISSN: 09498257 EISSN: 14321327 Source Type: Journal
DOI: 10.1007/s00775-011-0786-7 Document Type: Review

Times cited : (29)

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