Collect. Czech. Chem. Commun.
2003, 68, 587-626
https://doi.org/10.1135/cccc20030587
Modeling of the Three-Body Effects in the Neutral Trimers in the Quartet State by ab initio Calculations. H3, Na3, and Na2B
Jacek Jakowskia, Grzegorz Chałasińskia,*, Małgorzata M. Szczęśniakb and Slawomir M. Cybulskic
a Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland
b Department of Chemistry, Oakland University, Rochester, MI 48309, U.S.A.
c Department of Chemistry, Miami University, Oxford, OH 45056, U.S.A.
References
1. J. Phys. Chem. 1994, 98, 9931.
< A. I., Gonzales N., Simons J.: https://doi.org/10.1021/j100091a001>
2. J. Phys. Chem. 1997, 101, 3166.
< K., Yarkony D. R.: https://doi.org/10.1021/jp963845z>
3. J. Chem. Phys. 1994, 101, 3472.
< J. M., Fajardo M. E.: https://doi.org/10.1063/1.467532>
4. J. Chem. Phys. 2001, 114, 7144.
< T., Eloranta J., Ahokas J, Kunttu H.: https://doi.org/10.1063/1.1360796>
5. J. Chem. Phys. 2001, 114, 7157.
< T., Eloranta J., Ahokas J., Kunttu H.: https://doi.org/10.1063/1.1360797>
6. J. Chem. Phys. 2000, 112, 3014.
< J. A., Jaffe J. E., Gutowski M., Lin Z., Hess A. C.: https://doi.org/10.1063/1.480875>
7. J. Phys. B: At., Mol. Opt. Phys. 1999, 32, 3727.
< B., Grum-Grzhimailo A. N., Bartschat K., Mehlhorn W.: https://doi.org/10.1088/0953-4075/32/15/307>
8. J. Chem. Phys. 2000, 113, 8961.
< R., Skurski P., Rak J., Gutowski M.: https://doi.org/10.1063/1.1319642>
9. J. Chem. Phys. 1999, 110, 947.
< A., Moszyński R., Piela L.: https://doi.org/10.1063/1.478139>
10. J. Chem. Phys. 1999, 110, 4695.
< M.: https://doi.org/10.1063/1.478384>
11. J. Chem. Phys. 2000, 112, 5751.
< J., Hollebeek T., Reho J., Ho T.-S., Lehmann K. K., Rabitz H., Scoles G., Gutowski M.: https://doi.org/10.1063/1.481150>
12. J. Chem. Phys. 1995, 103, 2779.
< X., Hwang E., Dagdigian P., Yang M., Alexander M. H.: https://doi.org/10.1063/1.470514>
13. J. Chem. Phys. 1996, 104, 8165.
< X., Hwang E., Dagdigian P.: https://doi.org/10.1063/1.471493>
14. J. Chem. Phys. 1996, 104, 599.
< X., Hwang E., Dagdigian P.: https://doi.org/10.1063/1.470855>
15. J. Chem. Phys. 1997, 106, 6596.
< X., Dagdigian P.: https://doi.org/10.1063/1.473649>
16. J. Chem. Phys. 1997, 106, 6320.
< M. H., Walton A. R., Yang M., Yang X., Hwang E., Dagdigian P.: https://doi.org/10.1063/1.473621>
17. J. Chem. Phys. 2000, 112, 5037.
< J. R., Alexander M. H., Yang X., Dagdigian P.: https://doi.org/10.1063/1.481057>
18. Szczęśniak M. M., Chałasiński G. in: Molecular Interactions (S. Scheiner, Ed.), p. 45. Wiley, Chichester 1997.
19. Chem. Rev. (Washington, D. C.) 1994, 94, 1723.
< G., Szczęśniak M. M.: https://doi.org/10.1021/cr00031a001>
20. Chem. Rev. (Washington, D. C.) 1994, 94, 1887.
< B., Moszyński R., Szalewicz K.: https://doi.org/10.1021/cr00031a008>
21. Alonso J., Lopez M. in: Theory of Atomic and Molecular Clusters (J. Jellinek, Ed.). Springer-Verlag, Berlin–Heidelberg 1999.
22. J. Chem. Phys. 1976, 64, 3063.
< K. T., Norbeck J. M., Certain P. R.: https://doi.org/10.1063/1.432569>
23. J. Chem. Phys. 1996, 105, 8178.
< T., Moszyński R., Jeziorski B.: https://doi.org/10.1063/1.472671>
24. J. Chem. Phys. 2000, 113, 984.
U., Sachse T. I., Tang K. T., Toennies J. P., Yiu C. L.:
25. Phys. Rev. 1962, 125, 1798.
< L.: https://doi.org/10.1103/PhysRev.125.1798>
26. Mol. Phys. 1995, 84, 899.
< R. J.: https://doi.org/10.1080/00268979500100631>
27. J. Chem. Phys. 1999, 111, 3377.
< U., Tang K. T., Toennies J. P., Yiu C. L.: https://doi.org/10.1063/1.479621>
28. Chem. Rev. 2000, 100, 4227.
< G., Szczęśniak M. M.: https://doi.org/10.1021/cr990048z>
29. J. Chem. Phys. 1997, 106, 3301.
< G., Rak J., Szczęśniak M. M., Cybulski S. M.: https://doi.org/10.1063/1.473078>
30. J. Chem. Phys. 1994, 100, 2975.
< D. E., Dunning T. H.: https://doi.org/10.1063/1.466439>
31. J. Chem. Phys. 1989, 90, 1007.
< T. H.: https://doi.org/10.1063/1.456153>
32. J. Chem. Phys. 1992, 96, 6796.
< R. A., Dunning T. H., Harrison R. J.: https://doi.org/10.1063/1.462569>
33. Frisch M. J., Trucks G. W., Schlegel H. B. et al.: GAUSSIAN 98, Revision A.7. Gaussian, Inc., Pittsburgh (PA) 1998.
34. Cybulski S. M.: TRURL-94 Package. Rochester (MI) 1994.
35. J. Chem. Phys. 1996, 105, 351.
< I., Zhao Y., Neumark D. M.: https://doi.org/10.1063/1.471893>
36. J. Phys. B: At., Mol. Opt. Phys. 1979, 12, 2697.
< K. M., Erickson G. J., Binning R. C., Jr.: https://doi.org/10.1088/0022-3700/12/16/016>
37. Phys. Rev. A: At., Mol., Opt. Phys. 1980, 22, 1500.
< G. J., Sando K. M.: https://doi.org/10.1103/PhysRevA.22.1500>
38. J. Chem. Soc., Farraday Trans. 2 1989, 85, 955.
< V., Liuti G., Pirani F., Vecchiocattivi F.: https://doi.org/10.1039/f29898500955>
39. J. Chem. Phys. 1995, 103, 3392.
< F. Y., Knowles P. J.: https://doi.org/10.1063/1.470224>
40. J. Chem. Phys. 1994, 100, 5556.
< A. V., Apkarian V. A.: https://doi.org/10.1063/1.467174>
41. Jakowski J.: Ph.D. Thesis. Warsaw 2002.
42. J. Phys. B: At., Mol. Opt. Phys. 1973, 6, 2018.
< R. H. G.: https://doi.org/10.1088/0022-3700/6/10/018>
43. J. Chem. Phys. 1996, 104, 7784.
< S., Breckenridge W. H.: https://doi.org/10.1063/1.471657>
44. J. Chem. Phys. 1996, 105, 6154.
< S., Breckenridge W. H.: https://doi.org/10.1063/1.472997>
45. J. Chem. Phys. 1986, 85, 6324.
< M.-C., D’Azy O. B., Breckenridge W. H., Jouvet C.: https://doi.org/10.1063/1.451462>
46. J. Chem. Phys. 1984, 100, 8212.
< S., Gutowski M., Simons J., Breckenridge W. H.: https://doi.org/10.1063/1.466764>
47. Cybulski S. M.: Unpublished results.
48. Chem. Phys. 1998, 239, 573.
< J., Chałasiński G., Szczęśniak M. M., Cybulski S. M.: https://doi.org/10.1016/S0301-0104(98)00335-8>
49. J. Chem. Phys. 1993, 98, 5337.
< A. R., Hutson J. M.: https://doi.org/10.1063/1.464939>
50. Stone A. J.: The Theory of Intermolecular Forces. Clarendon Press, Oxford 1996.
51. Mol. Phys. 1985, 56, 1047.
< A. J., Alderton M.: https://doi.org/10.1080/00268978500102891>
52. J. Chem. Phys. 1990, 92, 2481.
< G., Szczęśniak M. M., Cybulski S. M.: https://doi.org/10.1063/1.457991>
53. J. Chem. Phys. 1989, 91, 7048.
< G., Cybulski S. M., Szczęśniak M. M., Scheiner S.: https://doi.org/10.1063/1.457322>