Ab initio calculations of the internal rotation barrier in the dimethylacetylene molecule

Journal of Structural Chemistry

Volumn 43, Issue 5, 2002, Pages 856-857

  Frolov, Yu L ^a   Knizhnik, A V ^a  

^a A E FAVORSKY IRKUTSK INSTITUTE OF CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0036953517     PISSN: 00224766     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1022889611018     Document Type: Article

References (15)

1. T. Oie, I. A. Topol, S. K. Burt, J. Phys. Chem., 99, No. 3, 905-915 (1995).
2. T. Schaefer, R. W. Schurko, and G. M. Bernard, Canad. J. Chem., 72, 1780-1784 (1994).
3. J. Mhlbach and J. R. Huber, J. Chem. Phys., 84, No. 6, 3014-3020 (1986).
4. A. Finch et al., Chemical Application of Far Infrared Spectroscopy, Academic Press, London (1970).
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).
7. P. R. Bunker and H. C. Longuet-Higgins, Proc. Roy. Soc., Ser. A, 280, 340-352 (1964).
8. W. B. Olson and D. Papousek, J. Mol. Spectr., 37, No. 2, 161-190 (1971).
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).
10. P. R. Bunker and C. di Lauro, Chem. Phys., 190, Nos. 2-3, 159-169 (1995).
11. J. Pliva, A. S. Pine, and S. Civis, J. Mol. Spectr., 180, No. 1, 15-26 (1996).
12. G. Rauhut, J. W. Broughton, and P. Pulay, J. Chem. Phys., 103, No. 13, 5662-5673 (1995).
13. P. Ugliengo, A. M. Ferrari, A. Zecchina, and E. Garroni, J. Phys. Chem., 100, No. 9, 3632-2645 (1996).
14. L. Radom, P. J. Stiles, and M. A. Vincent, J. Mol. Struct., 48, No. 2, 259-270 (1978).
15. M. J. Frisch, G. W. Trucks, H. B. Schlegel, et. al., Gaussian 94, Gaussian, Inc., Pittsburgh, PA (1995).