Journal of Structural Chemistry

, Volume 25, Issue 5, pp 746–751 | Cite as

Monte Carlo calculations on the structure and energetics of aqueous methylformamide, including the enolic form

  • I. I. Sheikhet
  • B. Ya. Simkin


Physical Chemistry Inorganic Chemistry Monte Carlo Calculation Enolic Form Methylformamide 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

Literature cited

  1. 1.
    B. Ya. Simkin and I. I. Sheikhet, Zh. Strukt. Khim.,24, 75 (1983).Google Scholar
  2. 2.
    B. Ya. Simkin and I. I. Sheikhet, Zh. Strukt. Khim.,24, 80 (1983).Google Scholar
  3. 3.
    J. P. Guthrie, Can. J. Chem.,55, 3700 (1977).Google Scholar
  4. 4.
    I. M. Klotz and J. S. Franzen, J. Am. Chem. Soc.,84, 3461 (1962).Google Scholar
  5. 5.
    N. Baggett, General Organic Chemistry, Vol. 2 [Russian translation], Khimiya, Moscow (1982), p. 289.Google Scholar
  6. 6.
    G. C. Pimental and A. L. McClellan, Annu. Rev. Phys. Chem.,22, 347 (1971).Google Scholar
  7. 7.
    A. Pullman, The New World of Quantum Chemistry, North-Holland, Dordrecht (1976), p. 149.Google Scholar
  8. 8.
    G. Klopman and P. Andreozzi, Annu. Rep. Prog. Chem.,74, 41 (1977).Google Scholar
  9. 9.
    B. Ya. Simkin, I. I. Sheikhet, and V. N. Levchuk, Zh. Strukt. Khim.,25 (1984).Google Scholar
  10. 10.
    G. Corongiu, E. Clementi, Gazz. Chim. Ital.,108, 273 (1978).Google Scholar
  11. 11.
    L. Gianolo, R. Pavani, and E. Clementi, Gazz. Chim. Ital.,108, 181 (1978).Google Scholar
  12. 12.
    T. A. Halgren and W. N. Lipscomb, J. Chem. Phys.,58, 1569 (1973).Google Scholar
  13. 13.
    A. S. Zyubin, Zh. Strukt. Khim.,20, 195 (1979).Google Scholar
  14. 14.
    Quantum Chemistry Program Exchange, Program No. 279, Bloomington, Indiana.Google Scholar
  15. 15.
    G. Corongiu, E. Clementi, M. Dagnino, and L. Paoloni, Chem. Phys.,40, 439 (1979).Google Scholar
  16. 16.
    S. Romano and E. Clementi, Int. J. Quant. Chem.,14, 839 (1978).Google Scholar
  17. 17.
    S. Romano and E. Clementi, Int. J. Quant. Chem.,17, 1007 (1980).Google Scholar
  18. 18.
    M. Berndt and J. S. Kwiatkowski, Theor. Chim. Acta,50, 223 (1978).Google Scholar
  19. 19.
    H.-J. Hofmann, G. Pienel, C. Krebs, and C. Weiss, Int. J. Quant. Chem.,20, 785 (1981).Google Scholar
  20. 20.
    A. Pullman, Quant. Theor. Chem. React.,2, 1 (1981).Google Scholar
  21. 21.
    J. N. Spenser, S. V. Berger, C. R. Powell, et al., J. Chem. Phys.,85, 1236 (1981).Google Scholar
  22. 22.
    J. F. Hinton and R. D. Harpool, J. Am. Chem. Soc.,99, 349 (1977).Google Scholar
  23. 23.
    E. Clementi, “Computational aspects for large chemical systems,” Springer-Verlag, Lecture Notes in Chemistry, Berlin (1980), Vol. 19, p. 148.Google Scholar
  24. 24.
    S. Okazaki, K. Nakanishi, and H. Touhara, J. Chem. Phys.,71, 2421 (1979).Google Scholar
  25. 25.
    G. Bolis and E. Clementi, Chem. Phys. Lett.,82, 147 (1981).Google Scholar
  26. 26.
    K. Nakanishi, S. Okazaki, K. Ikari, and H. Touhara, Chem. Phys. Lett.,84, 428 (1981).Google Scholar
  27. 27.
    G. Alagona and A. Tani, Chem. Phys. Lett.,87, 337 (1982).Google Scholar

Copyright information

© Plenum Publishing Corporation 1985

Authors and Affiliations

  • I. I. Sheikhet
    • 1
  • B. Ya. Simkin
    • 1
  1. 1.Suslov UniversityRostov

Personalised recommendations