Ab Initio IGLO Studies of the Conformational Dependence of the γ-Effect in the 13C NMR Spectra of Cyclic Hydrocarbons
10.1007/978-94-011-1652-7_27
Crossref book-chapter
Springer Netherlands
Nuclear Magnetic Shieldings and Molecular Structure (297)
Bibliography

Barfield, M. (1993). Ab Initio IGLO Studies of the Conformational Dependence of the γ-Effect in the 13C NMR Spectra of Cyclic Hydrocarbons. Nuclear Magnetic Shieldings and Molecular Structure, 523–537.

Authors 1
  1. Michael Barfield (first)
References 22 Referenced 6
  1. Grant, D. M., Paul, E. G. (1964) J. Am. Chem. Soc., 86, 2984–2990. (10.1021/ja01069a004) / J. Am. Chem. Soc. by DM Grant (1964)
  2. Stothers, J. B. (1972) Carbon-13 NMR Spectroscopy, Academic Press, New York. / Carbon-13 NMR Spectroscopy by JB Stothers (1972)
  3. Grant, D. M. and Cheney, B. V. (1967) J. Am. Chem. Soc., 89, 5315–5318. (10.1021/ja00997a001) / J. Am. Chem. Soc. by DM Grant (1967)
  4. Woolfenden, W. R. and Grant, D. M. (1966) J. Am. Chem. Soc., 88, 1496–1502. (10.1021/ja00959a032) / J. Am. Chem. Soc. by WR Woolfenden (1966)
  5. Seidman, K. and Maciel, G. E. (1977) J. Am. Chem. Soc., 99, 659–671. (10.1021/ja00445a001) / J. Am. Chem. Soc. by K Seidman (1977)
  6. Li, S. and Chesnut, D. B. (1985) Magn. Reson. Chem., 23, 625–638. (10.1002/mrc.1260230807) / Magn. Reson. Chem. by S Li (1985)
  7. Lippmaa, E., Pehk, T., and Paasivirta (1973) Org. Magn. Reson., 5, 277–283. (10.1002/mrc.1270050607) / Org. Magn. Reson. by E Lippmaa (1973)
  8. Chanon, F., Rajzmann, M., Chanon, M., Metzger, J., and Pouzard, G. (1980) Can. J. Chem., 58, 599–603. (10.1139/v80-092) / Can. J. Chem. by F Chanon (1980)
  9. Lambert, J. B. and Vagenas, A. R. (1981) Org. Magn. Reson., 17, 265–270. (10.1002/mrc.1270170409) / Org. Magn. Reson. by JB Lambert (1981)
  10. Barfield, M. and Yamamura, S. (1990) J. Am. Chem. Soc., 112, 4747–4758. (10.1021/ja00168a020) / J. Am. Chem. Soc. by M Barfield (1990)
  11. For reviews of the theory of shielding see, for example, Jameson, C. J. (1991) Nuclear Magnetic Resonance, Specialist Periodical Reports, The Chemical Society London, Burlington House, London, No. 20, and previous chapters in this series.
  12. For a review of ab initio methods in shielding calculations see
  13. Chesnut, D. B. (1989) in Annual Reports on NMR Spectroscopy, Vol. 21, pp. 51–97. / Annual Reports on NMR Spectroscopy by D.B. Chesnut (1989)
  14. Kutzelnigg, W. (1980) Israel J. Chem., 19, 193–200. Schindler, M. and Kutzelnigg, W. (1982) J. Chem. Phys., 76, 1919–1933. For a review of IGLO results see Kutzelnigg, W. (1989) J. Mol. Struct., 202, 11–61, and Kutzelnigg, W., Fleischer, U., and Schindler, M. (1990) in P. Diehl, E. Fluck, and R. Kosfeld (eds.), NMR Basic Principles and Progress, Springer, Berlin, Vol. 23, p 165. (10.1007/978-3-642-75932-1_3)
  15. Jiao, D., Barfield, M., Combariza, J. E, and Hruby, V. J. (1992) J. Am. Chem. Soc. 114, 3639–3643. (10.1021/ja00036a010) / J. Am. Chem. Soc by D Jiao (1992)
  16. Huzinaga, S. (1984) Gaussian Basis Sets for Molecular Calculations, Elsevier, New York. / Gaussian Basis Sets for Molecular Calculations by S Huzinaga (1984)
  17. Gaussian 86, M. J. Frisch, J. S. Binkley, H. B. Schlegel, K. Raghavachari, C. F. Melius, R. L. Martin, J. J. P. Stewart, F. W. Bobrowicz, C. M. Rohlfing, L. R. Kahn, D. J. Defrees, R. Seeger, R. A. Whiteside, D. J. Fox, E. M. Fleuder, and J. A. Pople, Carnegie-Mellon Quantum Chemistry Publishing Unit, Pittsburgh PA, 1984.
  18. Gaussian 90, Revision I, M. J. Frisch, M. Head-Gordon, G. W. Trucks, J. B. Foresman, H. B. Schlegel, K. Raghavachari, M. Robb, J. S. Binkley, C. Gonzalez, D. J. Defrees, D. J. Fox, R. A. Whiteside, R. Seeger, C. F. Melius, J. Baker, R. L. Martin, L. R. Kahn, J. J. P. Stewart, S. Topiol, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1990. / Gaussian 90 by I Revision (1990)
  19. Barfield, M. (1992) unpublished results.
  20. Whitesell, J. K. and Minton, M. A. (1987) Stereochemical Analysis of Alicyclic Compounds by C-13 NMR Spectroscopy, Chapman Hall, New York. (10.1007/978-94-009-3161-9) / Stereochemical Analysis of Alicyclic Compounds by C-13 NMR Spectroscopy by JK Whitesell (1987)
  21. Gajewski J. J., Gilbert, K. E., and McKelvie, J. (1990) in D. Liotta, (ed.), Advances in Molecular Modeling, JAI Press, Greenwich, CT. / Advances in Molecular Modeling by JJ Gajewski (1990)
  22. Barfield, M. and Smith, W. B. (1992) J. Am. Chem. Soc., 114, 1574–1581. (10.1021/ja00031a006) / J. Am. Chem. Soc. by M Barfield (1992)
Dates
Type When
Created 13 years, 1 month ago (July 28, 2012, 8:37 p.m.)
Deposited 6 years, 1 month ago (July 2, 2019, 2:08 a.m.)
Indexed 11 months, 3 weeks ago (Sept. 7, 2024, 4:18 a.m.)
Issued 32 years, 7 months ago (Jan. 1, 1993)
Published 32 years, 7 months ago (Jan. 1, 1993)
Published Print 32 years, 7 months ago (Jan. 1, 1993)
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@inbook{Barfield_1993, title={Ab Initio IGLO Studies of the Conformational Dependence of the γ-Effect in the 13C NMR Spectra of Cyclic Hydrocarbons}, ISBN={9789401116527}, url={http://dx.doi.org/10.1007/978-94-011-1652-7_27}, DOI={10.1007/978-94-011-1652-7_27}, booktitle={Nuclear Magnetic Shieldings and Molecular Structure}, publisher={Springer Netherlands}, author={Barfield, Michael}, year={1993}, pages={523–537} }