Theoretical study of [Na(NH3)n]- (n=1-4)

Journal of Chemical Physics

Volumn 113, Issue 21, 2000, Pages 9540-9548

  Hashimoto, Kenro ^a   Kamimoto, Tetsuya ^a   Miura, Nobuaki ^a   Okuda, Rei ^a   Daigoku, Kota ^a  

^a TOKYO METROPOLITAN UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTRONIC DENSITY OF STATES; ISOMERS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PHOTOELECTRON SPECTROSCOPY;

HARMONIC FREQUENCIES; VERTICAL DETACHMENT ENERGIES;

AMMONIA;

EID: 0034498936     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1321312     Document Type: Article

References (50)

1. Solvation Phenomena in Specific Physical, Chemical, and Biological Systems (The Chemical Physics of Solvation, Part C), edited by R. R. Dogonadze, E. Kalman, A. A. Kamyshev, and J. Ulstrup (Elsevier, Amsterdam, 1988).
2. M. H. Shen and J. M. Farrar, J. Phys. Chem. 93, 4386 (1989).
3. S. G. Donnelly and J. M. Farrar, J. Chem. Phys. 98, 5450 (1993).
4. C. A. Schmuttenmaer, J. Qian, S. G. Donnelly, M. J. DeLuca, D. F. Varley, L. A. DeLouise, R. J. D. Miller, and J. M. Farrar, J. Phys. Chem. 97, 3077 (1993).
5. D. C. Sperry, J. I. Lee, and J. M. Farrar, Chem. Phys. Lett. 304, 350 (1999).
6. I. V. Hertel, C. Huglin, C. Nitsch, and C. P. Schulz, Phys. Rev. Lett. 67, 1767 (1991).
7. C. Nitsch, C. P. Schulz, A. Gerber, W. Zimmermann-Edling, and I. V. Hertel, Z. Phys. D: At., Mol. Clusters 22, 651 (1992).
8. C. Nitsch, C. Hlin, I. V. Hertel, and C. P. Schulz, J. Chem. Phys. 101, 6559 (1994).
9. C. P. Shultz, J. Hohndorf, P. Brockhaus, and I. V. Hertel, Z. Phys. D: At., Mol. Clusters 40, 78 (1997).
10. C. P. Schulz and C. Nitsch, J. Chem. Phys. 107, 9794 (1997).
11. P. Brockhaus, I. V. Hertel, and C. P. Schulz, J. Chem. Phys. 110, 393 (1999).
12. C. P. Shultz, J. Hohndorf, P. Brockhaus, F. Noak, and I. V. Hertel, Chem. Phys. Lett. 239, 18 (1995).
13. D. A. Rodham and G. A. Blake, Chem. Phys. Lett. 264, 522 (1997).
14. F. Misaizu, K. Tsukamoto, M. Sanekata, and K. Fuke, Chem. Phys. Lett. 188, 241 (1992).
15. R. Takasu, F. Misaizu, K. Hashimoto, and K. Fuke, J. Phys. Chem. A 101, 3078 (1997).
16. R. Takasu, H. Ito, K. Nishikawa, K. Hashimoto, R. Okuda, and K. Fuke, J. Electron Spectrosc. Relat. Phenom. 106, 127 (2000).
17. R. Takasu, K. Hashimoto, and K. Fuke, Chem. Phys. Lett. 258, 94 (1996).
18. V. A. Nicely and J. L. Dye, J. Chem. Phys. 52, 4795 (1970).
19. M. Sprik, R. W. Impey, and M. L. Klein, Phys. Rev. Lett. 56, 2326 (1986).
20. M. Marchi, M. Sprik, and M. L. Klein, Faraday Discuss. Chem. Soc. 85, 373 (1988).
21. M. Marchi, M. Sprik, and M. L. Klein, J. Phys.: Condens. Matter 2, 5833 (1990).
22. G. L. Martyna and M. L. Klein, J. Phys. Chem. 95, 515 (1991).
23. G. L. Martyna and M. L. Klein, J. Chem. Phys. 96, 7662 (1992).
24. Z. Deng, G. L. Martyna, and M. L. Klein, Phys. Rev. Lett. 71, 267 (1993).
25. Z. Deng, G. L. Martyna, and M. L. Klein, J. Chem. Phys. 100, 7590 (1994).
26. C. W. Bauschlicher, Jr., M. Sodupe, and H. Partridge, J. Chem. Phys. 96, 4453 (1992).
27. J. C. Greer, C. Huglin, I. V. Hertel, and R. Ahlrichs, Z. Phys. D: At., Mol. Clusters 30, 69 (1994).
28. K. Hashimoto, S. He, and K. Morokuma, Chem. Phys. Lett. 206, 297 (1993).
29. K. Hashimoto and K. Morokuma, J. Am. Chem. Soc. 117, 4151 (1995).
30. P. Stampfli, Phys. Rep. 255, 1 (1995).
31. K. Hashimoto, T. Kamimoto, and K. Fuke, Chem. Phys. Lett. 266, 7 (1997).
32. H.-H. Ritze, Chem. Phys. Lett. 275, 399 (1997).
33. R. Takasu, T. Taguchi, K. Hashimoto, and K. Fuke, Chem. Phys. Lett. 290, 481 (1998).
34. K. Hashimoto, T. Kamimoto, and K. Daigoku, J. Phys. Chem. A 104, 3299 (2000).
35. A. D. McLean and G. S. Chandler, J. Chem. Phys. 72, 5639 (1980).
36. W. J. Hehre, L. Radom, L., P. v. R. Schleyer, and J. A. Pople, Ab Initio Molecular Orbital Theory (Wiley, New York, 1986).
37. J. L. Duncanh and I. M. Mills, Spectrochim. Acta 20, 523 (1964).
38. H.-J. Werner and P. J. Knowles, J. Chem. Phys. 82, 5053 (1985).
39. P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 115, 259 (1985).
40. H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988).
41. P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988).
42. P. J. Knowles and H.-J. Werner, Theor. Chim. Acta 84, 95 (1992).
43. (a) M. J. Frisch, G. W. Trucks, M. Head-Gordon et al., GAUSSIAN 92 (Gaussian, Inc., Pittsburgh, Pennsylvania, 1992);
44. (b) M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 94 Revision D.4 (Gaussian, Inc., Pittsburgh, Pennsylvania, 1995).
45. MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions of J. Almlof, R. D. Amos, M. J. O. Deegan et al.
46. S. S. Xantheas and T. H. Dunning, Jr., J. Phys. Chem. 98, 13489 (1994).
47. S. S. Xantheas, J. Phys. Chem. 100, 9703 (1996).
48. T. Ebata, in Nonlinear Spectroscopy for Molecular Structure Determination, edited by R. W. Field, E. Hirota, J. P. Maier, and S. Tsuchiya (Blackwell Science, Oxford, 1998), Chap. 6.
49. J. M. Lisy, Int. Rev. Phys. Chem. 16, 267 (1997).
50. G. Herzberg, Molecular Spectra and Molecular Structure (Van Nostrand Reinhold, New York, 1945), Vol. II.