A computational study on electronic structures of Ge n F - And Ge n F ( n=3 -6) clusters by density functional theory

Chemical Physics Letters

Volumn 324, Issue 1-3, 2000, Pages 143-148

  Han, Ju Guang ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001397701     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(00)00581-9     Document Type: Article

References (22)

1. Hastie J.W., Hange R.H., Margrave J.L. J. Am. Chem. Soc. 91:1969;2536.
2. Molnar J., Marsden C.J., Hargittai M. J. Phys. Chem. 99:1995;9062.
3. Raghavachari K., Logovinsky V. Phys. Rev. Lett. 55:1985;2853.
4. Negishi Y., Kawamata H., Hayase T., Gomei M., Kishi R., Hayakawa F., Nakajima A., Kaya K. Chem. Phys. Lett. 269:1997;199.
5. Kawamata H., Negishi Y., Kishi R., Iwata S., Nakajima A., Kaya K. J. Chem. Phys. 105:1996;5369.
6. Sicilia E., Toscano M., Mineva T., Russo N. Int. J. Quantum Chem. 61:1997;571.
7. Lia D.W., Balasubramanian K. J. Mol. Spectrosc. 163:1994;284.
8. Grossman J.C., Mitas L. Phys. Rev. B. 52:1995;16735.
9. Sicilia E., Toscano M., Mineva T., Russo N. Int. J. Quantum Chem. 61:1997;571.
10. Han J.G. J. Mol. Struct. (THEOCHEM). 491:1999;41.
11. Baerends E.J., Ellis D.E., Ros P. Chem. Phys. 2:1973;41.
12. G.te Velde, E.J. Baerends, J. Comp. Phys. 99 (1992) 84.
13. C. Fonseca Guerra, O. Visser, J.G. Snijders, G.te Velde, E.J. Baerends, METE CC-95 (1995) 305.
14. ADF 2.2.1, Theoretical Chemistry, Vrije Universiteit, Amsterdam, 1997.
15. Hohenberg P., Kohn W. Phys. Rev. B. 136:1964;864.
16. Kohn W., Sham L.J. Phys. Rev. A. 140:1965;1133.
17. Ellis D.E. Int. J. Quantum Chem. S. 2:1968;35.
18. Sambe H., Felton R. J. Chem. Phys. 62:1975;1122.
19. Vosko S.H., Wilk L., Nusair M. Can. J. Phys. 58:1980;1200.
20. G Han J., Jiang Z.H., Fan K.N., Liu F.C. Chin. J. Chem. Phys. 10:1995;404.
21. Deutsch P.W., Curtiss L.A., Blaudeau J.P. Chem. Phys. Lett. 270:1997;413.
22. L.A. Curtiss, K. Raghavachari, G.W. Trucks, J A. Pople, J. Chem. Phys. 94 (1991) 7221.