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Volumn 6, Issue 2, 2002, Pages 243-249

Quantum chemical calculations of [NiFe] hydrogenase

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; HYDROGENASE; IRON; NICKEL; HYDROGEN; NICKEL IRON HYDROGENASE; NICKEL-IRON HYDROGENASE;

EID: 0036525727     PISSN: 13675931     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1367-5931(02)00313-7     Document Type: Review
Times cited : (76)

References (28)
  • 4
    • 0034851266 scopus 로고    scopus 로고
    • Recent theoretical predictions of the active site for the observed forms in the catalytic cycle of Ni-Fe hydrogenase
    • (2001) J Biol Inorg Chem , vol.6 , pp. 467-473
    • Fan, H.-J.1    Hall, M.B.2
  • 11
    • 0031574022 scopus 로고    scopus 로고
    • Unusual ligand structure in Ni-Fe active center and an additional Mg site in hydrogenase revealed by high resolution X-ray structure analysis
    • (1997) Structure , vol.5 , pp. 1671-1680
    • Higuchi, Y.1    Yagi, T.2    Yasuoka, N.3
  • 19
    • 0035127517 scopus 로고    scopus 로고
    • Modeling the active site of metalloenzymes. 4. Predictions of the unready states of NiFe Desulfovibrio gigas hydrogenase from density functional theory
    • (2001) Inorg Chem , vol.40 , pp. 18-24
    • Li, S.1    Hall, M.B.2
  • 20
    • 0035914929 scopus 로고    scopus 로고
    • Modeling the active site of metalloenzymes. 5. The heterolytic bond cleavage of H2 in the NiFe hydrogenase of Desulfovibrio gigas by a nucleophilic addition mechanism
    • (2001) Inorg Chem , vol.40 , pp. 6201-6203
    • Niu, S.1    Hall, M.B.2
  • 26
    • 0034836307 scopus 로고    scopus 로고
    • Modeling the active sites in metalloenzymes. 3. Density functional calculations on models for Fe-hydrogenase: Structures and vibrational frequencies of the observed redox forms and the reaction mechanism at the diiron active center
    • (2001) J Am Chem Soc , vol.123 , pp. 3734-3742
    • Cao, Z.1    Hall, M.B.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.