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Volumn 50, Issue 6, 2011, Pages 1439-1443

A model of the [FeFe] hydrogenase active site with a biologically relevant azadithiolate bridge: A spectroscopic and theoretical investigation

Author keywords

density functional calculations; ENDOR spectroscopy; enzyme models; EPR spectroscopy; hydrogenases

Indexed keywords

DENSITY-FUNCTIONAL CALCULATIONS; ENDOR SPECTROSCOPY; ENZYME MODELS; EPR SPECTROSCOPY; HYDROGENASES;

EID: 79551678796     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201006244     Document Type: Article
Times cited : (134)

References (45)
  • 14
    • 79551678077 scopus 로고    scopus 로고
    • For reviews see
    • For reviews see
  • 23
  • 28
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    • 0043269716 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2003, 42, 3285-3288.
    • (2003) Angew. Chem. Int. Ed. , vol.42 , pp. 3285-3288
  • 35
    • 79551670633 scopus 로고    scopus 로고
    • Broken-symmetry DFT calculations with the BP86 and B3LYP functionals converged back to the delocalized S=1/2 state and yielded identical results.
    • Broken-symmetry DFT calculations with the BP86 and B3LYP functionals converged back to the delocalized S=1/2 state and yielded identical results.
  • 37
    • 56749148400 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2008, 47, 9492-9495.
    • (2008) Angew. Chem. Int. Ed. , vol.47 , pp. 9492-9495
  • 41
    • 79551673653 scopus 로고    scopus 로고
    • x| and 0<η<1. For details, see
    • x| and 0<η<1. For details, see


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.