Nature of the Fe-O2 bonding in oxy-myoglobin: Effect of the protein

Journal of the American Chemical Society

Volumn 130, Issue 44, 2008, Pages 14778-14790

  Chen, Hui ^a   Ikeda Saito, Masao ^b   Shaik, Sason ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; FREE RADICALS; GASES; HYDROGEN; IRON COMPOUNDS; MECHANISMS; MOLECULAR MECHANICS; OXYGEN; PORPHYRINS;

AXIAL LIGANDS; BONDING MECHANISMS; BONDING MODELS; CAS-SCF; COMPLETE ACTIVE SPACES; ELECTRON TRANSFERS; GAS PHASE; OXYGEN BINDINGS; PHASE CALCULATIONS; QUANTUM MECHANICAL/MOLECULAR MECHANICALS; SELF-CONSISTENT FIELDS; SINGLET STATES; STATE CONSTITUTIONS; THEORETICAL CALCULATIONS; TRIPLET STATES; VALENCE BONDS;

PHASE SPACE METHODS;

FERROUS ION; HEME; HISTIDINE; MYOGLOBIN; OXYGEN; IRON; OXYMYOGLOBIN; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BINDING; CHEMICAL MODEL; DENSITY FUNCTIONAL THEORY; ELECTRICITY; ELECTRON TRANSPORT; GAS; HYDROGEN BOND; MOLECULAR MECHANICS; OXYGEN AFFINITY; QUANTUM MECHANICS; RNA TRANSLATION; CHEMICAL STRUCTURE; CHEMISTRY; ENZYME ACTIVE SITE; METABOLISM; MOSSBAUER SPECTROSCOPY; QUANTUM THEORY; THERMODYNAMICS;

CATALYTIC DOMAIN; IRON; MODELS, MOLECULAR; MYOGLOBIN; OXYGEN; QUANTUM THEORY; SPECTROSCOPY, MOSSBAUER; THERMODYNAMICS;

EID: 55549126854     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja805434m     Document Type: Article

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