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Journal of Biological Inorganic Chemistry

Volumn 16, Issue 6, 2011, Pages 841-855

Lessons on O2 and NO bonding to heme from ab initio multireference/multiconfiguration and DFT calculations

(2) Shaik, Sason a Chen, Hui a

a HEBREW UNIVERSITY OF JERUSALEM (Israel)

Author keywords

Heme enzyme; Hemoglobin; Myoglobin; Nitrosylheme; Oxyheme

Indexed keywords

HEME; HEMOGLOBIN; MYOGLOBIN; NITRIC OXIDE; OXYGEN; IRON;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ELECTRON; HYDROGEN BOND; MATHEMATICAL COMPUTING; METAL BINDING; MOLECULAR MECHANICS; OXIDATION; PRIORITY JOURNAL; VALENCE BOND; CHEMISTRY; ENZYME ACTIVE SITE; MOLECULAR DYNAMICS;

CATALYTIC DOMAIN; HEME; HYDROGEN BONDING; IRON; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; NITRIC OXIDE; OXYGEN;

EID: 80051545880 PISSN: 09498257 EISSN: 14321327 Source Type: Journal
DOI: 10.1007/s00775-011-0763-1 Document Type: Article

Times cited : (53)

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