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Volumn 102, Issue 14, 1998, Pages 2493-2499

Ab initio calculations of the 13C NMR spectrum of 2-propyl cations in ion pairs

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EID: 0000512239     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp973382c     Document Type: Article
Times cited : (20)

References (46)
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    • Bieger, W.1    Seifert, G.2    Eschrig, H.3    Grossman, G.4
  • 19
    • 0013672430 scopus 로고
    • NMR chemical shift calculations by the DFT method were first reported by: (b) Bieger, W.; Seifert, G.; Eschrig, H.; Grossman, G. Chem. Phys. Lett. 1958, 115, 275. (c) Freier, D. A..; Fenske, R. F.; Xiao-Zeng, Y. J. Chem. Phys. 1985, 83, 3526. (d) See also: Malkin, V. G.; Malkina, O. L.; Salahub, D. R. Chem. Phys. Lett. 1993, 204, 80.
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  • 20
    • 0002037442 scopus 로고
    • NMR chemical shift calculations by the DFT method were first reported by: (b) Bieger, W.; Seifert, G.; Eschrig, H.; Grossman, G. Chem. Phys. Lett. 1958, 115, 275. (c) Freier, D. A..; Fenske, R. F.; Xiao-Zeng, Y. J. Chem. Phys. 1985, 83, 3526. (d) See also: Malkin, V. G.; Malkina, O. L.; Salahub, D. R. Chem. Phys. Lett. 1993, 204, 80.
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  • 21
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    • 1 cal = 4.184 J
    • 1 cal = 4.184 J.
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    • (c) Dunning, T. H., Jr. J. Chem. Phys. 1970, 53, 2823. (Polarization exponents were obtained from J. Gauss, personal communication.)
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    • personal communication
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    • Observation made by a reviewer of the manuscript
    • Observation made by a reviewer of the manuscript.


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