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Volumn 102, Issue 13, 1998, Pages 2342-2350

Iron-57 NMR chemical shifts and mössbauer quadrupole splittings in metalloporphyrins, ferrocytochrome c, and myoglobins: A density functional theory investigation

Author keywords

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Indexed keywords


EID: 0001723277     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972542h     Document Type: Article
Times cited : (74)

References (51)
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    • (1979) The Porphyrins , vol.4 , pp. 425-478
    • Sams, J.R.1    Tsin, T.B.2
  • 3
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    • Lever, A. B. P., Gray, H. B., Eds.; VCH Publishers: New York
    • Debrunner, P. G. In Iron Porphyrins; Lever, A. B. P., Gray, H. B., Eds.; VCH Publishers: New York, 1989; Vol. 3, pp 139-234.
    • (1989) Iron Porphyrins , vol.3 , pp. 139-234
    • Debrunner, P.G.1
  • 10
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    • Dunitz, J. D., Hemmerich, P., Holm, R. H., Ibers, J. A., Jørgensen, C. K., Neilands, J. B., Reinen, D., Williams, R. J. P., Eds.; Springer-Verlag: New York
    • Trautwein, A. In Structure and Bonding; Dunitz, J. D., Hemmerich, P., Holm, R. H., Ibers, J. A., Jørgensen, C. K., Neilands, J. B., Reinen, D., Williams, R. J. P., Eds.; Springer-Verlag: New York, 1974; pp 101-167.
    • (1974) Structure and Bonding , pp. 101-167
    • Trautwein, A.1
  • 24
    • 84889220815 scopus 로고    scopus 로고
    • to be submitted for publication
    • Salzmann, R.; Oldfield, E., to be submitted for publication.
    • Salzmann, R.1    Oldfield, E.2
  • 29
    • 0005867244 scopus 로고
    • Wachters, A. J. H. J. Chem. Phys. 1970, 52, 1033-1036; Wachters, A. J. H. IBM Technology Report RJ584, 1969.
    • (1970) J. Chem. Phys. , vol.52 , pp. 1033-1036
    • Wachters, A.J.H.1
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    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99392, U.S.A., and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram labortory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830. Contact David Feller, Karen Schuchardt, or Don Jones for further information
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 1.0, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99392, U.S.A., and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram labortory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830. Contact David Feller, Karen Schuchardt, or Don Jones for further information.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.