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Volumn 41, Issue 22, 2002, Pages 5744-5753

Metal substitution in the active site of nitrogenase MFe7S9 (M = Mo4+, V3+, Fe3+)

Author keywords

[No Author keywords available]

Indexed keywords

BACTERIAL ENZYME; COBALT; IRON; IRON DERIVATIVE; METAL DERIVATIVE; METALLOPROTEIN; MOLYBDENUM; MOLYBDENUM COMPLEX; MOLYBDENUM IRON PROTEIN; NITROGENASE; PROTEIN; VANADIUM; VANADIUM DERIVATIVE;

EID: 0037020616     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic020474u     Document Type: Article
Times cited : (48)

References (86)
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    • Pedrosa, F. O., Hungria, M., Yates, M. G., Newton, W. E., Eds.; Kluwer Academic Publishers: Dordrecht, The Netherlands
    • An unrelated superoxide-dependent Mo-containing system isolated from Streptomyces thermoautotrophicus has recently been described. Hofmann-Findeklee, C.; Gadkari, D.; Meyer, O. In Nitrogen Fixation: From Molecules to Crop Productivity: Pedrosa, F. O., Hungria, M., Yates, M. G., Newton, W. E., Eds.; Kluwer Academic Publishers: Dordrecht, The Netherlands, 2000; pp 23-30.
    • (2000) Nitrogen Fixation: From Molecules to Crop Productivity , pp. 23-30
    • Hofmann-Findeklee, C.1    Gadkari, D.2    Meyer, O.3
  • 9
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    • and references therein
    • (a) Burgess, B. K.; Lowe, D. J. Chem. Rev. 1996, 96, 2983 and references therein.
    • (1996) Chem. Rev. , vol.96 , pp. 2983
    • Burgess, B.K.1    Lowe, D.J.2
  • 45
  • 55
    • 0003744122 scopus 로고    scopus 로고
    • Department of Theoretical Chemistry, Free University of Amsterdam: Amsterdam
    • ADF 2.3.0; Department of Theoretical Chemistry, Free University of Amsterdam: Amsterdam, 1997.
    • (1997) ADF 2.3.0
  • 58
    • 0003990093 scopus 로고
    • Internal report (in Dutch); Free University of Amsterdam: Amsterdam The Netherlands
    • Krijn, J.; Baerends, E. J. Fit Functions in the HFS-method; Internal report (in Dutch); Free University of Amsterdam: Amsterdam The Netherlands, 1984.
    • (1984) Fit Functions in the HFS-method
    • Krijn, J.1    Baerends, E.J.2
  • 62
    • 0004036401 scopus 로고
    • Lawley, K. P., Ed.; Advances in Chemical Physics: Wiley: New York
    • Schlegel, H. B. In Ab Initio Methods in Quantum Chemistry - I; Lawley, K. P., Ed.; Advances in Chemical Physics Vol. 67: Wiley: New York, 1987.
    • (1987) Ab Initio Methods in Quantum Chemistry - I , vol.67
    • Schlegel, H.B.1
  • 66
    • 0005222648 scopus 로고    scopus 로고
    • note
    • Intramolecular proton transfer from the second shell hydrogen bonding partners and the oxygen ends of the homocitrate ligand did not occur.
  • 68
    • 0005187637 scopus 로고    scopus 로고
    • note
    • (a) The broken symmetry state is not a pure spin state described by a single determinant, but rather a weighted average of pure spin states. Because the weighting factor of each pure spin state is known, from Clebsch-Gordan algebra, the broken symmetry energy can be expressed in terms of the energies of the pure spin states. For more detail, see ref 26 and references therein.
  • 70
    • 0005188384 scopus 로고    scopus 로고
    • note
    • 28b,c was used to ensure that the correct virtual orbitals were shifted to higher energy.
  • 76
    • 0005174088 scopus 로고    scopus 로고
    • Personal Communication
    • Hales, B. J. Personal Communication.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.