Skip to main content
SpringerLink
Log in

Ab initio Calculations of the Internal Rotation Barrier in the Dimethylacetylene Molecule

  • Published:
Journal of Structural Chemistry Aims and scope Submit manuscript

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

REFERENCES

  1. T. Oie, I. A. Topol, S. K. Burt, J. Phys. Chem., 99, No. 3, 905-915 (1995).

    Google Scholar 

  2. T. Schaefer, R. W. Schurko, and G. M. Bernard, Canad. J. Chem., 72, 1780-1784 (1994).

    Google Scholar 

  3. J. Mhlbach and J. R. Huber, J. Chem. Phys., 84, No. 6, 3014-3020 (1986).

    Google Scholar 

  4. A. Finch et al., Chemical Application of Far Infrared Spectroscopy, Academic Press, London (1970).

    Google Scholar 

  5. G. Herzberg, Infrared and Raman Spectra of Polyatomic Molecules, New York (1945).

  6. I. M. Mills and H. W. Thompson, Proc. Roy. Soc., Ser. A, 226, 306-314 (1954).

    Google Scholar 

  7. P. R. Bunker and H. C. Longuet-Higgins, Proc. Roy. Soc., Ser. A, 280, 340-352 (1964).

    Google Scholar 

  8. W. B. Olson and D. Papousek, J. Mol. Spectr., 37, No. 2, 161-190 (1971).

    Google Scholar 

  9. P. R. Bunker, J. W. C. Johns, A. R. W. McKellar, and C. di Lauro, J. Mol. Spectr., 162, No. 1, 142-151 (1993).

    Google Scholar 

  10. P. R. Bunker and C. di Lauro, Chem. Phys., 190, Nos. 2-3, 159-169 (1995).

    Google Scholar 

  11. J. Pliva, A. S. Pine, and S. Civis, J. Mol. Spectr., 180, No. 1, 15-26 (1996).

    Google Scholar 

  12. G. Rauhut, J. W. Broughton, and P. Pulay, J. Chem. Phys., 103, No. 13, 5662-5673 (1995).

    Google Scholar 

  13. P. Ugliengo, A. M. Ferrari, A. Zecchina, and E. Garroni, J. Phys. Chem., 100, No. 9, 3632-2645 (1996).

    Google Scholar 

  14. L. Radom, P. J. Stiles, and M. A. Vincent, J. Mol. Struct., 48, No. 2, 259-270 (1978).

    Google Scholar 

  15. M. J. Frisch, G. W. Trucks, H. B. Schlegel, et. al., Gaussian 94, Gaussian, Inc., Pittsburgh, PA (1995).

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Favosrkii Irkutsk Institute of Chemistry, Siberian Branch, Russian Academy of Sciences, Irkutsk

    Yu. L. Frolov & A. V. Knizhnik

Authors
  1. Yu. L. Frolov
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. A. V. Knizhnik
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Frolov, Y.L., Knizhnik, A.V. Ab initio Calculations of the Internal Rotation Barrier in the Dimethylacetylene Molecule. Journal of Structural Chemistry 43, 856–857 (2002). https://doi.org/10.1023/A:1022889611018

Download citation

  • Issue Date:

  • DOI: https://doi.org/10.1023/A:1022889611018

Keywords

Search

Navigation