Density functional study of polycarbon sulfides CnS (n = 2-9)

Chemical Physics Letters

Volumn 268, Issue 1-2, 1997, Pages 69-75

  Lee, Sungyul ^a  

^a Kyung Hee University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031552270     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00167-X     Document Type: Article

References (35)

1. [1] T. Guo, C. Jin and R.E. Smalley, J. Phys. Chem. 95 (1991) 4948.
2. [2] J.C. Hummelen, B. Knight, J. Pavlovich, R. Gonzalez and F. Wudl, Science 269 (1995) 1554.
3. [3] M. Ohishi, H. Suzuki, S. Ishikawa, C. Yamada, H. Kanamori, W.M. Irvine, R.D. Brown, P.D. Godfrey and N. Kaifu, Astrophys. J. 380 (1991) L39.
4. [4] H.E. Matthews, W.M. Irvine, P. Freiberg, R.D. Brown and P.D. Godfrey, Nature 310 (1984) 125.
5. [5] L.W. Avery, N.W. Broten, J.M. MacLeod, T. Oka and H.W. Kroto, Astrophys. J. (1976) L173.
6. [6] H.W. Kroto, C. Kirby, D.R.M. Walton, L.W. Avery, N.W. Broten, J.M. MacLeod and T. Oka, Astrophys. J. 219 (1978) L133.
7. [7] N.W. Broten, T. Oka, L.W. Avery and J.M. MacLeod, Astrophys. J. 223 (1978) L105.
8. [8] M. Bell, P.A. Feldman, S. Kwok and H.E. Matthews, Nature 295 (1982) 389.
9. [9] A. Fuente, J. Cernicharo, A. Barcia and J. Gomez-Gonzalos, Astron. Astrophys. 231 (1990) 151.
10. [10] M.B. Bell, L.W. Avery and A. Feldman, Astrophys. J. 417 (1993) L37.
11. [11] S. Saito, K. Kawaguchi, S. Yamamoto, M. Ohishi, H. Suzuki and N. Kaifu, Astrophys. J. 317 (1987) L115.
12. [12] N. Kaifu, H. Suzuki, M. Ohishi, T. Miyawi, S. Ishikawa, T. Kasuga, M. Morimoto and S. Saito, Astrophys. J. 317 (1987) L111.
13. [13] S. Yamamoto, S. Saito, K. Kawaguchi, N. Kaifu, H. Suzuki and M. Ohishi, Astrophys. J. 317 (1987) L119.
14. [14] J. Tang and S. Shuji, J. Mol. Spectrosc. 169 (1995) 92.
15. [15] Y. Kasai, K. Obi, Y. Ohshima, Y. Hirahara, Y. Endo, K. Kawaguchi and A. Murakami, Astrophys. J. 410 (1993) L45.
16. [16] Y. Hirahara, Y. Ohshima and Y. Endo, Astrophys. J. 408 (1993) L113.
17. [17] Y. Ohshima and Y. Endo, J. Mol. Spectrosc. 153 (1992) 627.
18. [18] Y. Xie and H.F. Schaefer III, J. Chem. Phys. 96 (1992) 3714.
19. [19] Z.-L. Cai, X.-G. Zhang and X.-Y. Wang, Chem. Phys. Lett. 213 (1993) 168.
20. [20] D.J. Peeso, D.W. Ewing and T.T. Curtis, Chem. Phys. Lett. 166 (1990) 307.
21. [21] A. Murakami, Astrophys. J. 357 (1990) 288.
22. [22] S. Seeger, P. Botschwina, J. Flügge, H.P. Reisenauer and G. Maier, J. Mol. Struct. (Theochem) 303 (1994) 213.
23. [23] R.G. Parr and W. Yang, Density functional theory of atoms and molecules (Oxford University Press, New York, 1989).
24. [24] S. Lee, J. Phys. Chem. 100 (1996) 13959.
25. [25] B. Lee, J. So and S. Lee, Bull. Korean Chem. Soc. 17 (1996) 767.
26. [26] N. Moazzen-Ahmadi and F. Zerbetto, J. Chem. Phys. 103 (1995) 6343.
27. [27] M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M, A, Robb, J.R. Cheeseman, T.A. 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 94 (Gaussian, Inc. Pittsburgh, PA, 1995).
28. [28] A.D. Becke, Phys. Rev. A 38 (1988) 3098.
29. [29] C. Lee, W. Yang and R.P. Parr, Phys. Rev. B 37 (1988) 785.
30. [30] S. Yamamoto, S. Saito, K. Kawaguchi, Y. Chicada, H. Suzuki, N. Kaifu and S. Ishikawa, Astrophys. J. 361 (1990) 318.
31. [31] G. Maier, J. Schrot, H.P. Reisenauer and R. Janoschek, Chem. Ber. 124 (1991) 2671.
32. [32] R.D. Suenram and F.J. Lovas, Astrophys. J. 429 (1994) L89.
33. [33] A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
34. [34] T. Ogata, Y. Ohshima and Y. Endo, J. Am. Chem. Soc. 117 (1995) 3593.
35. [35] Y. Ohshima, Y. Endo and T. Ogata, J. Chem. Phys. 102 (1995) 1493.