Theoretical calculation of carbon clusters

International Journal of Quantum Chemistry

Volumn 65, Issue 5, 1997, Pages 867-875

  Valdes, Esther Agacino ^a   De La Mora, Pablo ^b   Castro, Miguel ^b   Keller, Jaime ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 5644230838     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-461x(1997)65:5<867::aid-qua50>3.0.co;2-t     Document Type: Article

References (41)

1. K. E. Spear, J. Am. Chem. Soc. 72, 171 (1989).
2. T. Tsuno, T. Imai, Y. Nishibayashi, K. Hamada, and N. Fujimori, Jpn. J. Appl. Phys. 30, 1063 (1991).
3. R. G. Parr and W. Yang, Density functional Theory of Atoms and Molecules (Oxford Univ. Press, Oxford, 1989); D. R. Sahalub, Adv. Chem. Phys. 69, 447 (1987); A. St. Amant and D. R. Sahalub, Chem. Phys. Lett. 169, 387 (1990); D. R. Sahalub, R. Fournier, P. Mlynarski, I. Papai, A. St. Amant, and J. Ushio, Theory and Applications of Density Functional Approaches in Chemistry, J. Labanowsky and J. Andzelm, Eds. (Springer, New York, 1991), p. 77.
4. R. G. Parr and W. Yang, Density functional Theory of Atoms and Molecules (Oxford Univ. Press, Oxford, 1989); D. R. Sahalub, Adv. Chem. Phys. 69, 447 (1987); A. St. Amant and D. R. Sahalub, Chem. Phys. Lett. 169, 387 (1990); D. R. Sahalub, R. Fournier, P. Mlynarski, I. Papai, A. St. Amant, and J. Ushio, Theory and Applications of Density Functional Approaches in Chemistry, J. Labanowsky and J. Andzelm, Eds. (Springer, New York, 1991), p. 77.
5. R. G. Parr and W. Yang, Density functional Theory of Atoms and Molecules (Oxford Univ. Press, Oxford, 1989); D. R. Sahalub, Adv. Chem. Phys. 69, 447 (1987); A. St. Amant and D. R. Sahalub, Chem. Phys. Lett. 169, 387 (1990); D. R. Sahalub, R. Fournier, P. Mlynarski, I. Papai, A. St. Amant, and J. Ushio, Theory and Applications of Density Functional Approaches in Chemistry, J. Labanowsky and J. Andzelm, Eds. (Springer, New York, 1991), p. 77.
6. R. G. Parr and W. Yang, Density functional Theory of Atoms and Molecules (Oxford Univ. Press, Oxford, 1989); D. R. Sahalub, Adv. Chem. Phys. 69, 447 (1987); A. St. Amant and D. R. Sahalub, Chem. Phys. Lett. 169, 387 (1990); D. R. Sahalub, R. Fournier, P. Mlynarski, I. Papai, A. St. Amant, and J. Ushio, Theory and Applications of Density Functional Approaches in Chemistry, J. Labanowsky and J. Andzelm, Eds. (Springer, New York, 1991), p. 77.
7. Th. Frauenheim, V. Stephen, P. Blaudeck, D. Porezag, H.-G. Busmann, W. Zimmermann-Edling, and S. Lauer, Phys. Rev. B48, 18189 (1993).
8. R. K. Nesbet J. Chem. Phys. 40, 3619 (1964).
9. J. S. Sims and S. Hagstrom, Phys. Rev, A4, 908 (1971).
10. R. G. W. Norrish, G. Porter, and B. A. Thrush, Nature, 169, 582 (1952).
11. E. A. Ballik and D. A. Ramsay, J. Chem. Phys. 29, 1418 (1958); E. A. Ballik and D. A. Ramsay, J. Chem. Phys. 31, 1128 (1959).
12. E. A. Ballik and D. A. Ramsay, J. Chem. Phys. 29, 1418 (1958); E. A. Ballik and D. A. Ramsay, J. Chem. Phys. 31, 1128 (1959).
13. P. F. Fouguere and R. K. Nesbet, J. Chem. Phys. 44, 285 (1966).
14. L. Brewer, W. T. Hicks, and O. H. Krikoin, J. Chem. Phys. 36, 182 (1962).
15. J. Drowart R. P. Burns, G. DeMaría, and M. G. Inghram, J. Chem. Phys. 31, 1131 (1959).
16. G. Herzberg, Molecular Spectra and Molecular Structure, Vol. IV, 2nd ed. (VNB, New York, 1950).
17. S. M. Read and J. T. Vanderslice, J. Chem. Phys. 36, 2366 (1962); E. A. Ballik and D. A. Ramsay, Astrophys. J. 137, 1127 (1963).
18. S. M. Read and J. T. Vanderslice, J. Chem. Phys. 36, 2366 (1962); E. A. Ballik and D. A. Ramsay, Astrophys. J. 137, 1127 (1963).
19. G. Verhaegen, J. Chem. Phys. 49, 4696 (1968).
20. R. S. Mulliken and W. C. Ermler, Diatomic Molecules (Academic, New York, 1977), pp. 138-162.
21. A. E. Douglas, Astrophys. J. 114, 466 (1951).
22. L. Gausset, G. Herzberg, A. Laigerqvist, and A. Rosen, Discuss. Faraday Soc 35, 113 (1963); Astrophys, J. 142, 45 (1965).
23. L. Gausset, G. Herzberg, A. Laigerqvist, and A. Rosen, Discuss. Faraday Soc 35, 113 (1963); Astrophys, J. 142, 45 (1965).
24. D. H. Liskow, Ch. F. Bender, and H. F. Schaefer, J. Chem. Phys. 56, 5075 (1972).
25. J. Perić Radić, J. Römelt, S. D. Peyerimhoff, and R. J. Buenker, Chem. Phys. Lett. 50, 344 (1977).
26. J. Kordis and K. A. Gingerich, J. Chem. Phys. 58, 5058 (1972).
27. A. V. Hamza, G. D. Kubiak, and R. H. Stulen, Surf. Sci. 227, 35 (1990); P. G. Lurie and J. M. Wilso, Surf. Sci. 65, 453 (1977).
28. A. V. Hamza, G. D. Kubiak, and R. H. Stulen, Surf. Sci. 227, 35 (1990); P. G. Lurie and J. M. Wilso, Surf. Sci. 65, 453 (1977).
29. H. Kawarada, Surf. Sci Reports, 26, 205 (1996).
30. L. F. Sutcu, C. J. Chu, M. S. Thomson, R. H. Hauge, J. L. Margrave, and M. P. D'Evelyn, Appl. Phys. Lett. 71, 5930 (1992); L. F. Sutcu, M. S. Thomson, C. J. Chu, R. H. Hauge, and J. L. Margrave, Appl. Phys. Lett. 60, 1685 (1992).
31. L. F. Sutcu, C. J. Chu, M. S. Thomson, R. H. Hauge, J. L. Margrave, and M. P. D'Evelyn, Appl. Phys. Lett. 71, 5930 (1992); L. F. Sutcu, M. S. Thomson, C. J. Chu, R. H. Hauge, and J. L. Margrave, Appl. Phys. Lett. 60, 1685 (1992).
32. R. E. Thomas, R. A. Rudder, and R. J. Markunas, J. Vac. Sci., Tech. A10, 2451 (1992).
33. (a) Y. L. Yang and M. P. D'Evelyn, J. Am. Chem. Soc. 114, 2796 (1992); Y. L. Yang and M. P. D'Evelyn, J. Vac. Sci. Tech. A10, 978 (1992);
34. (a) Y. L. Yang and M. P. D'Evelyn, J. Am. Chem. Soc. 114, 2796 (1992); Y. L. Yang and M. P. D'Evelyn, J. Vac. Sci. Tech. A10, 978 (1992);
35. (b) S. P. Mehandru and A. B. Anderson, Surf. Sci., 248, 369 (1991);
36. (c) Z. Jing and J. L. Whitten, Surf. Sci. 314, 300 (1994).
37. W. S. Verwoerd, Surf. Sci. 103, 404 (1981).
38. W. S. Verwoerd, Surf. Sci. 108, 153 (1981).
39. B. V. Derjaguin and D. B. Fedoseev, Sci. Am. 233, 102 (1975).
40. L. R. Martin and M. W. Hill, Appl. Phys. Lett. 55, 2248 (1989).
41. B. G. Garrison, E. J. Dawnkaski, D. Srivastava, and D. W. Brenner, Science 255, 835 (1992).