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Volumn 12, Issue 2, 1998, Pages 183-193
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Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s
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Author keywords
Hartree fock; Open shell; Spin states
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Indexed keywords
ATOMS;
CALCULATIONS;
GROUND STATE;
IRON COMPOUNDS;
PORPHYRINS;
QUANTUM CHEMISTRY;
SULFUR;
AB INITIO;
AB INITIO CALCULATIONS;
FORCEFIELDS;
HARTREE-FOCK;
INITIO CALCULATIONS;
IRON PORPHYRIN;
IRON-PORPHYRIN;
OPEN-SHELL;
PORPHYRIN COMPLEXES;
SPIN STATE;
GEOMETRY;
CYTOCHROME P450;
FERRIC ION;
IRON;
MESOPORPHYRIN;
PORPHYRIN;
ANIMAL;
ARTICLE;
CHEMICAL STRUCTURE;
CHEMISTRY;
ELECTRON TRANSPORT;
ENERGY METABOLISM;
MACROMOLECULE;
MATHEMATICAL COMPUTING;
METABOLISM;
OXIDATION REDUCTION REACTION;
ANIMALS;
CYTOCHROME P-450 ENZYME SYSTEM;
ELECTRON TRANSPORT;
ENERGY METABOLISM;
FERRIC COMPOUNDS;
IRON;
MACROMOLECULAR SUBSTANCES;
MATHEMATICAL COMPUTING;
MESOPORPHYRINS;
MODELS, MOLECULAR;
OXIDATION-REDUCTION;
PORPHYRINS;
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EID: 0032015623
PISSN: 0920654X
EISSN: None
Source Type: Journal
DOI: 10.1023/a:1007971918536 Document Type: Article |
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Times cited : (26)
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References (1)
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