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Volumn 120, Issue 13, 1998, Pages 3144-3151

An experimental and density functional theoretical investigation of iron-57 Mossbauer quadrupole splittings in organometallic and heme-model compounds: Applications to carbonmonoxy-heme protein structure

Author keywords

[No Author keywords available]

Indexed keywords

1,3 BUTADIENE DERIVATIVE; ACROLEIN; BICYCLO[3.3.1]NONANE DERIVATIVE; CARBON MONOXIDE; DIMETHYLGLYOXIME; HEME; HEMOPROTEIN; IRON; MYOGLOBIN; NITROSOBENZENE; ORGANOMETALLIC COMPOUND; PYRIDINE DERIVATIVE; TETRAPHENYLPORPHYRIN;

EID: 0032495769     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja972619f     Document Type: Article
Times cited : (83)

References (60)
  • 1
    • 37049049612 scopus 로고
    • Pauling, L. Nature 1964, 203, 182-183.
    • (1964) Nature , vol.203 , pp. 182-183
    • Pauling, L.1
  • 2
    • 0011737920 scopus 로고
    • Weiss, J. J. Nature 1964, 203, 183.
    • (1964) Nature , vol.203 , pp. 183
    • Weiss, J.J.1
  • 7
    • 0000432913 scopus 로고
    • Lever, A. B. P., Gray, H. B., Eds.; VCH Publishers: New York
    • Debrunner, P. G. 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
  • 8
    • 2142711427 scopus 로고
    • 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; Vol. 20, pp 101-166.
    • (1974) Structure and Bonding , vol.20 , pp. 101-166
    • Trautwein, A.1
  • 9
    • 2542540848 scopus 로고
    • Buhl, M. L.; Long, G. J. J. Organomet. Chem. 1993, 461, 177-185. Buhl, M. L.; Long, G. J.; Doyle, G. J. Organomet. Chem. 1993, 461, 187-199.
    • (1993) J. Organomet. Chem. , vol.461 , pp. 177-185
    • Buhl, M.L.1    Long, G.J.2
  • 11
    • 0001677817 scopus 로고
    • Case, D. A.; Huynh, B. H.; Karplus, M. J. Am. Chem. Soc. 1979, 101, 4433-4453. Karpov, A. A.; Khleskov, V. I.; Smirnov, A. B. Z. Strukt. Khim. 1993, 34, 90-93.
    • (1979) J. Am. Chem. Soc. , vol.101 , pp. 4433-4453
    • Case, D.A.1    Huynh, B.H.2    Karplus, M.3
  • 15
    • 0000814728 scopus 로고
    • Malkin, V. G.; Malkina, O. L.; Casida, M. E.; Salahub, D. R. J. Am. Chem. Soc. 1994, 116, 5898-5908. Malkin, V. G.; Malkina, O. L.; Eriksson, L. A.; Salahub, D. R. In Theoretical and Computational Chemistry, Politzer, P., Seminario, J. M., Eds.; Elsevier: Amsterdam, 1995.
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 5898-5908
    • Malkin, V.G.1    Malkina, O.L.2    Casida, M.E.3    Salahub, D.R.4
  • 19
    • 0030590178 scopus 로고    scopus 로고
    • Eriksson, L. A.; Malkina, O. L.; Malkin, V. G.; Salahub, D. R. Int. J. Quantum Chem. 1997, 63, 575-583. Fedotov, M. A.; Malkina, O. L.; Malkin V. G. Chem. Phys. Lett. 1996, 258, 330-335.
    • (1996) Chem. Phys. Lett. , vol.258 , pp. 330-335
    • Fedotov, M.A.1    Malkina, O.L.2    Malkin, V.G.3
  • 23
    • 2642631319 scopus 로고
    • Breslow, R. Org. Synth. 1970, 50, 21. Breslow, R. Org. Synth. 1970, 50, 36.
    • (1970) Org. Synth. , vol.50 , pp. 21
    • Breslow, R.1
  • 24
    • 2642628283 scopus 로고
    • Breslow, R. Org. Synth. 1970, 50, 21. Breslow, R. Org. Synth. 1970, 50, 36.
    • (1970) Org. Synth. , vol.50 , pp. 36
    • Breslow, R.1
  • 34
    • 0005867244 scopus 로고
    • Wachters, A. J. H. J. Chem. Phys. 1970, 52, 1033-1036. Wachters, A. J. H. IBM Technol. Rept. RJ584 1969.
    • (1970) J. Chem. Phys. , vol.52 , pp. 1033-1036
    • Wachters, A.J.H.1
  • 36
    • 2642623168 scopus 로고    scopus 로고
    • note
    • 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 99352, and is funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory 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.
  • 38
    • 4243553426 scopus 로고
    • Becke, A. D. Phys. Rev. A 1988, 38, 3098-3100. Perdew, J. P. Phys. Rev. B 1986, 33, 8822-8824.
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 39
    • 5944261746 scopus 로고
    • Becke, A. D. Phys. Rev. A 1988, 38, 3098-3100. Perdew, J. P. Phys. Rev. B 1986, 33, 8822-8824.
    • (1986) Phys. Rev. B , vol.33 , pp. 8822-8824
    • Perdew, J.P.1


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