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Volumn 110, Issue 25, 2006, Pages 7952-7961

Chemical bonds without "chemical bonding"? A combined experimental and theoretical charge density study on an iron trimethylenemethane complex

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; CHEMICAL BONDS; QUANTUM THEORY; X RAY DIFFRACTION;

EID: 33746425682     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp061846d     Document Type: Article
Times cited : (153)

References (101)
  • 30
    • 33746392156 scopus 로고    scopus 로고
    • note
    • 7, an unrealistic situation which receives no further comment!
  • 45
    • 0003763724 scopus 로고    scopus 로고
    • Nonius B.V., Delft: The Netherlands
    • (a) Collect data collection software; Nonius B.V., Delft: The Netherlands, 1999.
    • (1999) Collect Data Collection Software
  • 46
    • 0031059866 scopus 로고    scopus 로고
    • Processing of X-ray diffraction data collected in oscillation mode
    • Carter, C. W., Jr., Sweet, R. M., Eds.; Academic Press: New York (Macromolecular Crystallography, part A)
    • (b) Otwinowski, Z.; Minor, W. Processing of X-ray Diffraction Data Collected in Oscillation Mode. In Methods in Enzymology; Carter, C. W., Jr., Sweet, R. M., Eds.; Academic Press: New York, 1997; Vol. 276 (Macromolecular Crystallography, part A), pp 307-326.
    • (1997) Methods in Enzymology , vol.276 , pp. 307-326
    • Otwinowski, Z.1    Minor, W.2
  • 48
    • 33746443109 scopus 로고    scopus 로고
    • program for processing Denzo x files; HWI, SUNY, Buffalo, 1997. Modified for KappaCCD data by Farrugia, L. J. and Muir, K. W., University of Glasgow: Glasgow
    • Blessing, R. H. DENZOX, program for processing Denzo x files; HWI, SUNY, Buffalo, 1997. Modified for KappaCCD data by Farrugia, L. J. and Muir, K. W., University of Glasgow: Glasgow, 2001.
    • (2001) DENZOX
    • Blessing, R.H.1
  • 50
    • 4644305984 scopus 로고    scopus 로고
    • A Bruker-Nonius program for area detector absorption and other corrections, v. 2.10; University of Göttingen, Germany
    • Sheldrick, G. SADABS, A Bruker-Nonius program for area detector absorption and other corrections, v. 2.10; University of Göttingen, Germany, 2003.
    • (2003) SADABS
    • Sheldrick, G.1
  • 67
    • 33746437777 scopus 로고    scopus 로고
    • note
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, version 02/25/04, 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, U.S.A., and 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 or Karen Schuchardt for further information.
  • 85
    • 33746438314 scopus 로고    scopus 로고
    • note
    • 60 than those obtained from HF wave functions.
  • 89
    • 33746418218 scopus 로고    scopus 로고
    • note
    • 61,63 Nevertheless, the magnitudes of the "indirect" δ(A, C) are invariably smaller than those for the "direct" δ(A, B) and δ(B, C).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.