Anharmonic treatment of the lowest-energy conformers of glycine: A theoretical study

Journal of Chemical Physics

Volumn 113, Issue 11, 2000, Pages 4629-4635

  Bludský, Ota ^a   Chocholoušová, Jana ^a   Vacek, Jaroslav ^a   Huisken, Friedrich ^b   Hobza, Pavel ^a  

^a J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

^b MAX PLANCK INSTITUTE FOR DYNAMICS AND SELF ORGANIZATION   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; ELECTRON ENERGY LEVELS; MATHEMATICAL MODELS; MICROWAVE SPECTROSCOPY; MOLECULAR VIBRATIONS; POTENTIAL ENERGY;

ANHARMONIC TREATMENT; GLYCINE;

MOLECULAR PHYSICS;

EID: 17144460215     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1288914     Document Type: Article

References (50)

1. J. H. Jensen and M. S. Gordon, J. Am. Chem. Soc. 113, 7917 (1991).
2. M. Ramek, V. K. W. Cheng, R. F. Frey, and S. Q. Newton, J. Mol. Struct. 235, 1 (1991).
3. D. Yu, D. A. Armstrong, and A. Rauk, Can. J. Chem. 70, 1762 (1992).
4. A. G. Császár, J. Am. Chem. Soc. 114, 9568 (1992).
5. R. F. Frey, J. Coffin, S. Q. Newton, M. Ramek, V. K. W. Cheng, F. A. Momany, and L. Schäfer, J, Am Chem. Soc. 114, 5369 (1992).
6. C.-H. Hu, M. Shen, and H. F. Schaefer III, J. Am. Chem. Soc. 115, 2923 (1993).
7. V. Barone, C. Adamo, and F. Lelj, J. Chem. Phys. 102, 364 (1995).
8. V. Alexandov, S. Stepanian, and L. Adamovicz, Chem. Phys. Lett. 291, 110 (1998).
9. S. G. Stepanian, J. D. Reva, E. D. Radchenko, M. T. S. Rosado, M. L. T. S. Duarte, R. Fausto, and L. Adamovicz, J. Phys. Chem. A 102, 1041 (1998).
10. K. Zhang and A. Chung-Phillips, J. Phys. Chem. A 102, 3625 (1998).
11. R. D. Suenram and F. J. Lovas, J. Mol. Spectrosc. 7, 372 (1978).
12. R. D. Brown, P. D. Godfrey, J. W. V. Storey, and M.-P. Bassez, J. Chem. Soc. Chem. Commun. 547 (1978).
13. L. Schäfer, H. L. Sellers, F. J. Lovas, and R. D. Suenram, J. Am. Chem. Soc. 102, 6566 (1980).
14. R. D. Suenram and F. J. Lovas, J. Am. Chem. Soc. 102, 7180 (1980).
15. P. D. Godfrey and R. D. Brown, J. Am. Chem. Soc. 117, 2019 (1995).
16. J. D. Reva, A. M. Plokhotnichenko, S. G. Stepanian, A. Y. Ivanov, E. D. Radchenko, G. G. Sheina, and Y. P. Blagoi, Chem. Phys. Lett. 232, 141 (1995).
17. A. Y. Ivanov, A. M. Plokhotnichenko, V. Izvenkov, G. G. Sheina, and Y. P. Blagoi, J. Mol. Struct. 408/409, 459 (1997).
18. A. Y. Ivanov, G. G. Sheina, and Y. P. Blagoi, Spectrochim. Acta A 55, 219 (1999).
19. F. Huisken, O. Werhahn, A. Y. Ivanov, and S. A. Krasnokutski, J. Chem. Phys. 111, 2978 (1999).
20. A. Behrens-Griensenbach, W. A. P. Luck, and O. Schrems, J. Chem. Soc., Faraday Trans. 2 80, 579 (1984).
21. M. J. Frisch et al., Gaussian 98, Revision A.7 (Gaussian, Inc., Pittsburgh, PA, 1999).
22. I. M. Mills, in Molecular Spectroscopy: Modern Research, edited by K. Narahari Rao and C. W. Mathews (Academic, New York, 1972), Vol. I, p. 115.
23. P. R. Bunker and P. Jensen, Molecular Symmetry and Spectroscopy, 2nd ed. (NRC Research Press, Ottawa, 1998).
24. P. E. Maslen, N. C. Handy, R. D. Amos, and D. Jayatilaka, J. Chem. Phys. 97, 4233 (1992).
25. N. C. Handy, P. E. Maslen, R. D. Amos, J. S. Andrews, C. C. W. Murray, and G. J. Laming, Chem. Phys. Lett. 197, 506 (1992).
26. P. Hobza, O. Bludský, and S. Suhai, Phys. Chem. Chem. Phys. 1, 3073 (1999).
27. O. Bludský, V. Špirko, R. Kobayashi, and P. Jorgensen, Chem. Phys. Lett. 568, 228 (1994).
28. D. Luckhaus, J. Chem. Phys. 106, 8409 (1997).
29. Ch. W. Bock, M. Trachtman, and P. George, J. Mol. Spectrosc. 80, 131 (1980).
30. O. Bludský, J. Chocholoušová, and P. Hobza (unpublished).
31. J. H. Jensen and M. S. Gordon, J. Am. Chem. Soc. 113, 7917 (1991).
32. M. Ramek, V. K. W. Cheng, R. F. Frey, and S. Q. Newton, J. Mol. Struct. 235, 1 (1991).
33. D. Yu, D. A. Armstrong, and A. Rauk, Can. J. Chem. 70, 1762 (1992).
34. A. G. Császár, J. Am: Chem. Soc. 114, 9568 (1992).
35. R. F. Frey, J. Coffin, S. Q. Newton, M. Ramek, V. K. W. Cheng, F. A. Momany, and L. Schäfer, J. Am. Chem. Soc. 114, 5369 (1992).
36. C.-H. Hu, M. Shen, and H. F. Schaefer III, J. Am. Chem. Soc. 115, 2923 (1993).
37. V. Barone, C. Adamo, and F. Lelj, J. Chem. Phys. 102, 364 (1995).
38. V. Alexandov, S. Stepanian, and L. Adamovicz, Chem. Phys. Lett. 291, 110 (1998).
39. S. G. Stepanian, J. D. Reva, E. D. Radchenko, M. T. S. Rosado, M. L. T. S. Duarte, R. Fausto, and L. Adamovicz, J. Phys. Chem. A 102, 1041 (1998).
40. K. Zhang and A. Chung-Phillips, J. Phys. Chem. A 102, 3625 (1998).
41. R. D. Suenram and F. J. Lovas, J. Mol. Spectrosc. 7, 372 (1978).
42. R. D. Brown, P. D. Godfrey, J. W. V. Storey, and M.-P. Bassez, J. Chem. Soc. Chem. Commun. 547 (1978).
43. L. Schäfer, H. L. Sellers, F. J. Lovas, and R. D. Suenram, J. Am. Chem. Soc. 102, 6566 (1980).
44. R. D. Suenram and F. J. Lovas, J. Am. Chem. Soc. 102, 7180 (1980).
45. P. D. Godfrey and R. D. Brown, J. Am. Chem. Soc. 117, 2019 (1995).
46. J. D. Reva, A. M. Plokhotnichenko, S. G. Stepanian, A. Y. Ivanov, E. D. Radchenko, G. G. Sheina, and Y. P. Blagoi, Chem. Phys. Lett. 232, 141 (1995).
47. A. Y. Ivanov, A. M. Plokhotnichenko, V. Izvenkov, G. G. Sheina, and Y. P. Blagoi, J. Mol. Struct. 408/409, 459 (1997).
48. A. Y. Ivanov, G. G. Sheina, and Y. P. Blagoi, Spectrochim. Acta A 55, 219 (1999).
49. F. Huisken, O. Werhahn, A. Y. Ivanov, and S. A. Krasnokutski, J. Chem. Phys. 111, 2978 (1999).
50. A. Behrens-Griensenbach, W. A. P. Luck, and O. Schrems, J. Chem. Soc., Faraday Trans. 2 80, 579 (1984).