On the physical interpretation of torsion-rotation parameters in methanol and acetaldehyde: Comparison of global fit and ab initio results

Journal of Chemical Physics

Volumn 110, Issue 8, 1999, Pages 3835-3841

  Xu, Li Hong ^a   Lees, Ronald M ^a   Hougen, Jon T ^b  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

^b NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000932945     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478272     Document Type: Article

References (29)

1. B. Kirtman, J. Chem. Phys. 37, 2516 (1962).
2. B. Kirtman, J. Chem. Phys. 41, 775 (1964).
3. J. T. Hougen, J. Mol. Spectrosc. 181, 287 (1997).
4. E. Herbst, J. K. Messer, F. C. DeLucia, and P. Helminger, J. Mol. Spectrosc. 108, 42 (1984).
5. K. V. L. N. Sastry, E. Herbst, R. A. Booker, and F. C. DeLucia, J. Mol. Spectrosc. 116, 120 (1986).
6. I. Kleiner, J. T. Hougen, R. D. Suenram, F. J. Lovas, and M. Godefroid, J. Mol. Spectrosc. 148, 38 (1991).
7. I. Kleiner, J. T. Hougen, J.-U. Grabow, S. P. Belov, M. Yu. Tretyakov, and J. Cosléou, J. Mol. Spectrosc. 179, 41 (1996).
8. L.-H. Xu and J. T. Hougen, J. Mol. Spectrosc. 173, 540 (1995).
9. J. Tang and K. Takagi, J. Mol. Spectrosc. 161, 487 (1993).
10. Y.-B. Duan and K. Takagi, Phys. Lett. A 207, 203 (1995).
11. Y.-B. Duan, H.-M. Zhang, and K. Takagi, J. Chem. Phys. 104, 3914 (1996).
12. M. A. Mekhtiev, P. D. Godfrey, and V. Szalay, J. Mol. Spectrosc. 180, 42 (1996).
13. M. A. Mekhtiev and P. D. Godfrey, J. Mol. Spectrosc. 180, 54 (1996).
14. J. Florian, J. Leszczynski, B. G. Johnson, and L. Goodman, Mol. Phys. 91, 439 (1997).
15. A. Chung-Phillips and K. A. Jebber, J. Chem. Phys. 102, 7080 (1995).
16. A. G. Ozkabak and L. Goodman, J. Chem. Phys. 96, 5958 (1992).
17. J. Leszczynski and L. Goodman, J. Chem. Phys. 99, 4867 (1993).
18. L. Goodman, J. Leszczynski, and T. Kundu, J. Chem. Phys. 100, 1274 (1994).
19. L. Goodman, T. Kundu, and J. Leszczynski, J. Am. Chem. Soc. 117, 2082 (1995).
20. L.-H. Xu, M. S. Walsh, and R. M. Lees, J. Mol. Spectrosc. 179, 269 (1996).
21. M. S. Walsh, L.-H. Xu, and R. M. Lees, J. Mol. Spectrosc. 188, 85 (1998).
22. GAUSSIAN 94, Revision D.4, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Pittsburgh, PA, 1995.
23. Certain commercial products are identified in this paper in order to specify adequately the experimental or theoretical procedures. In no case does such identification imply recommendation or endorsement by the National Institute of Standards and Technology, nor does it imply that the products are necessarily the best available for the purpose.
24. C. C. Lin and J. D. Swalen, Rev. Mod. Phys. 31, 841 (1959).
25. J. T. Hougen, I. Kleiner, and M. Godefroid, J. Mol. Spectrosc. 163, 559 (1994).
26. M. C. L. Gerry, R. M. Lees, and G. Winnewisser, J. Mol. Spectrosc. 61, 231 (1976).
27. P. Nösberger, A. Bauder, and Hs. H. Günthard, Chem. Phys. 1, 418 (1973).
28. R. M. Lees, J. Chem. Phys. 59, 2690 (1973).
29. M. A. Mekhtiev, Ph.D. thesis, Monash University, 1995.