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Volumn 112, Issue 50, 2008, Pages 12842-12848

Electronic state of the Molecular oxygen released by catalase

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATION REACTIONS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; GAS GENERATORS; IRON COMPOUNDS; REACTION INTERMEDIATES;

EID: 58149260324     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp801512h     Document Type: Article
Times cited : (13)

References (56)
  • 35
    • 35948929003 scopus 로고    scopus 로고
    • MPI für Festkoerperforschung Stuttgard and IBM Zurich Research Laboratory
    • CPMD 3.10; MPI für Festkoerperforschung Stuttgard and IBM Zurich Research Laboratory, 2006.
    • (2006) CPMD 3.10
  • 36
    • 0009485123 scopus 로고    scopus 로고
    • G. J, Martyna; G. J.; Tuckerman, M. E J. Chem. Phys. 1999, 110, 2810.
    • G. J, Martyna; G. J.; Tuckerman, M. E J. Chem. Phys. 1999, 110, 2810.
  • 47
    • 58149218055 scopus 로고    scopus 로고
    • An alternative situation with five unpaired electrons in the heme (four on the iron-oxygen unit and one in the porphyrin) is excluded because it is expected to be a high energy configuration for the heme
    • An alternative situation with five unpaired electrons in the heme (four on the iron-oxygen unit and one in the porphyrin) is excluded because it is expected to be a high energy configuration for the heme.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.