Skip to main content
SpringerLink
Log in

A treatment of the torsional wave equation with an internal rotation constant depending on a torsional angle via point canonical transformation

  • Letter to the Editor
  • Published:
Journal of Mathematical Chemistry Aims and scope Submit manuscript

Abstract

A numerical method using a canonical point transformation has been developed for determining the energy levels of the internal rotation of asymmetric rotors. An internal rotation constant is assumed to be a function of a torsional angle.

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. Nielsen H.H.: Phys. Rev. 40, 445 (1932)

    Article  CAS  Google Scholar 

  2. Koehler J.S., Dennison D.M.: Phys. Rev. 57, 1006 (1940)

    Article  CAS  Google Scholar 

  3. Pitzer K.S., Gwinn W.D.: J. Chem. Phys. 10, 428 (1942)

    Article  CAS  Google Scholar 

  4. Lin C.C., Swalen J.D.: Rev. Mod. Phys. 31, 841 (1959)

    CAS  Google Scholar 

  5. Wood J.L.: Trans. Faraday Soc. 62, 1411 (1966)

    Article  CAS  Google Scholar 

  6. Van Speybroeck V., Van Neck D., Waroquier M., Wauters S., Saeys M., Marin G.B.: J. Phys. Chem. A. 104, 10939 (2000)

    Article  Google Scholar 

  7. Ellingson B.A., Lynch V.A., Mielke S.L., Truhlar D.G.: J. Chem. Phys. 125, 084305 (2006)

    Article  Google Scholar 

  8. Truhlar D.G.: J. Comput. Chem. 12, 266 (1991)

    Article  CAS  Google Scholar 

  9. McClurg R.B., Flagan R.C., Goddard W.A.: J. Chem. Phys. 106, 6675 (1997)

    Article  CAS  Google Scholar 

  10. Witschel W., Hartwigsen C.: Chem. Phys. Lett. 273, 304 (1997)

    Article  CAS  Google Scholar 

  11. Barker J.R., Shovlin C.N.: Chem. Phys. Lett. 383, 203 (2004)

    Article  CAS  Google Scholar 

  12. Strekalov M.L.: Chem. Phys. 355, 62 (2009)

    Article  CAS  Google Scholar 

  13. Pitzer K.S.: J. Chem. Phys. 14, 239 (1946)

    Article  CAS  Google Scholar 

  14. Van Vansteenkiste P., Speybroeck V., Marin G.B., Waroquier M.: J. Phys. Chem. A 107, 3139 (2003)

    Article  CAS  Google Scholar 

  15. Fehrensen B., Luckhaus D., Quack M.: Chem. Phys. 338, 90 (2007)

    Article  CAS  Google Scholar 

  16. Bitencourt A.C.P., Ragni M., Maciel G.S., Aquilanti V., Prudente F.V.: J. Chem. Phys. 129, 154316 (2008)

    Article  Google Scholar 

  17. Tezcan C., Sever R.: J. Math. Chem. 42, 387 (2007)

    Article  CAS  Google Scholar 

  18. Aktaş M., Sever R.: J. Math. Chem. 43, 92 (2008)

    Article  Google Scholar 

  19. Jia C.-S., Yi L.-Z., Sun Y.: J. Math. Chem. 43, 435 (2008)

    Article  CAS  Google Scholar 

  20. Bauder A., Mathier E., Meyer R., Ribeaud M., Günthard H.H.: Mol. Phys. 15, 597 (1968)

    Article  CAS  Google Scholar 

  21. Herrebout W.A., van der Veken B.J., Wang A., Durig J.R.: J. Phys. Chem. 99, 578 (1995)

    Article  CAS  Google Scholar 

  22. Smith G.D., Jaffe R.L.: J. Phys. Chem. 100, 18718 (1996)

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Institute of Chemical Kinetics and Combustion, Theoretical Chemistry Laboratory, Siberian Branch of Russian Academy of Sciences, 3 Institutskaya Street, 630090, Novosibirsk, Russia

    M. L. Strekalov

Authors
  1. M. L. Strekalov
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to M. L. Strekalov.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Strekalov, M.L. A treatment of the torsional wave equation with an internal rotation constant depending on a torsional angle via point canonical transformation. J Math Chem 47, 1468–1475 (2010). https://doi.org/10.1007/s10910-009-9617-2

Download citation

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10910-009-9617-2

Keywords

Search

Navigation