Ab initio study of host-guest interaction in model endohedral fullerenes with noble gas clusters Ng4 (Ng = He, Ne, Ar, Kr, Xe) inside the C60H36 and C84 cages

Russian Journal of Inorganic Chemistry

Volumn 49, Issue 9, 2004, Pages 1392-1402

  Charkin, O P ^a   Klimenko, N M ^b   Charkin, D O ^c   Mebel, A M ^d  

^a INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS   (Russian Federation)

^b MIREA RUSSIAN TECHNOLOGICAL UNIVERSITY   (Russian Federation)

^c MOSCOW STATE UNIVERSITY   (Russian Federation)

^d FLORIDA INTERNATIONAL UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON; FULLERENE DERIVATIVE; HELIUM; INERT GAS; KRYPTON; NEON; XENON;

AB INITIO CALCULATION; ARTICLE; CHEMICAL INTERACTION; PHYSICAL CHEMISTRY; SPECTROSCOPY;

EID: 9344257261     PISSN: 00360236     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (35)

1. O. P. Charkin, N. M. Klimenko, D. O. Charkin, and A. M. Mebel, Zh. Neorg. Khim. 49 (5), 792 (2004) [Russ. J. Inorg. Chem. 49 (5), 723 (2004)].
2. O. P. Charkin, N. M. Klimenko, D. O. Charkin, and A. M. Mebel, Zh. Neorg. Khim. 49 (5), 792 (2004) [Russ. J. Inorg. Chem. 49 (5), 723 (2004)].
3. O. P. Charkin, N. M. Klimenko, D. O. Charkin, and A. M. Mebel, Chem. Phys. Lett. 2004 (in press).
4. O. P. Charkin, N. M. Klimenko, D. O. Charkin, and A. M. Mebel, Zh. Neorg. Khim. 49 (6), 953 (2004) [Russ. J. Inorg. Chem. 49 (6), 868 (2004)].
5. O. P. Charkin, N. M. Klimenko, D. O. Charkin, and A. M. Mebel, Zh. Neorg. Khim. 49 (6), 953 (2004) [Russ. J. Inorg. Chem. 49 (6), 868 (2004)].
6. M. Saunders, H. A. Jimmenez-Vazques, R. J. Cross, et al., J. Am. Chem. Soc. 117, 9305 (1995).
7. M. Saunders, H. A. Jimmenez-Vazques, R. J. Cross, et al., Nature 367, 256 (1994).
8. M. Saunders, R. J. Cross, H. A. Jimmenez-Vazquez, et al., Science 271, 1693 (1996).
9. C. W. Allen, M. H. Song, K. Furuya, et al., J. Electron Microsc. 48, 503 (1999).
10. R. C. Birtcher, K. Furuya, C. W. Allen, et al., Nucl. Instrum. Meth. B 148 (1999).
11. K. Yamamoto, M. Saunders, A. Khong, et al., J. Am. Chem. Soc. 121, 1591 (1999).
12. M. S. Syamala, R. J. Cross, and M. Saunders, J. Am. Chem. Soc. 124, 6216 (2002).
13. T. Sternfeld, R. E. Hoffman, M. Saunders, et al., J. Am. Chem. Soc. 124, 8786 (2002).
14. J. Laskin, T. Peres, C. Lifshitz, et al., Chem. Phys. Lett. 285, 7 (1998).
15. W. E. Billups, A. Gonzalez, C. Gesenberg, et al., Tetrahedron Lett. 38, 175 (1996).
16. M. Buehl, W. Thiel, H. Jiao, et al., J. Am. Chem. Soc. 116, 6005 (1994).
17. J. Cioslowski, Chem. Phys. Lett. 227, 361 (1994).
18. M. Buehl and W. Thiel, Chem. Phys. Lett. 233, 585 (1995).
19. M. Buehl, W. Thiel, U. Schneider, J. Am. Chem. Soc. 117, 4623 (1995).
20. M. Buehl, S. Patchkovskii, and W. Thiel, Chem. Phys. Lett. 275, 14 (1997).
21. D. N. Sears and C. J. Jameson, J. Chem. Phys. 118, 9987 (2003).
22. R. B. Darzynkievicz and G. E. Scuseria, J. Phys. Chem. A 101, 7141 (1997).
23. O. P. Charkin, N. M. Klimenko, D. I. Moran, et al., Zh. Neorg. Khim. 46 (1), 120 (2001) [Russ. J. Inorg. Chem. 46 (1), 110 (2001)].
24. O. P. Charkin, N. M. Klimenko, D. I. Moran, et al., Zh. Neorg. Khim. 46 (1), 120 (2001) [Russ. J. Inorg. Chem. 46 (1), 110 (2001)].
25. O. P. Charkin, N. M. Klimenko, D. Moran, et al., Inorg. Chem. 40, 6913 (2001).
26. N. Kurita and H. Sekino, Int. J. Quant. Chem. 92, 335 (2003).
27. S. D. Bosanac and J. N. Murrell, Chem. Phys. Lett. 291, 64 (1998).
28. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
29. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B: Condens. Matter 37, 785 (1988).
30. M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., Gaussian 98, Revision A.7 (Gaussian, Inc., Pittsburgh, PA, 1998).
31. R. Ditchfield, Mol. Phys. 27, 789 (1974).
32. K. Wolinski, J. F. Hilton, and P. Pulay, J. Am. Chem. Soc. 112, 8251 (1990).
33. N. Godbout, D. R. Salahub, J. Andzelm, and E. Winner, Can. J. Chem. 70, 560 (1992).
34. Y. Rubin, T. Jarosson, G.-W. Wang, et al., Angew. Chem., Int. Ed. 40, 1543 (2001).
35. Y. Murata, M. Murata, and K. Komatsu, J. Am. Chem. Soc. 125, 7152 (2003).