Bonding features in endohedral metallofullerenes. Topological analysis of the electron density distribution

Chemical Physics Letters

Volumn 302, Issue 3-4, 1999, Pages 312-316

  Kobayashi, Kaoru ^a   Nagase, Shigeru ^a  

^a TOKYO METROPOLITAN UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001077499     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(99)00135-9     Document Type: Article

References (29)

1. Nagase S., Kobayashi K., Akasaka T. Bull. Chem. Soc. Jpn. 69:1996;2131.
2. Nagase S., Kobayashi K., Akasaka T. J. Comput. Chem. 19:1998;232.
3. Kobayashi K., Nagase S. Chem. Phys. Lett. 282:1998;325.
4. R.F.W. Bader, Atoms in Molecules - A Quantum Theory, Oxford University Press, Oxford, 1990.
5. Bader R.F.W. Chem. Rev. 91:1991;893.
6. Becke A.D. J. Chem. Phys. 98:1993;5648.
7. Becke A.D. Phys. Rev. A. 38:1988;3098.
8. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
9. Nagase S., Kobayashi K. Chem. Phys. Lett. 276:1997;55.
10. Kobayashi K., Nagase S., Yoshida M., Osawa E. J. Am. Chem. Soc. 119:1997;12693.
11. Raghavavhari K., Trucks G.W. J. Chem. Phys. 91:1989;1062.
12. S. Huzinaga, J. Andzelm, M. Klobukowski, E. Radio-Anzelm, Y. Sakai, H. Tatewaki, Gaussian Basis Sets for Molecular Calculations, Elsevier, Amsterdam, 1984.
13. Hehre W.J., Ditchfield R., Pople J.A. J. Chem. Phys. 56:1972;2257.
14. Cioslowski J., Nanayakkara A. Chem. Phys. Lett. 219:1994;151.
15. Bader R.F.W. J. Phys. Chem. A. 7314:1998;102.
16. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. 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, J.A. Pople, Gaussian 94, Gaussian, Inc., Pittsburgh, PA, 1995.
17. P.W. Fowler, D.E. Manolopoulos, An Atlas of Fullerenes, Oxford University Press, Oxford, 1995.
18. Nagase S., Kobayashi K. Chem. Phys. Lett. 231:1994;319.
19. Yamamoto E., Tansho M., Tomiyama T., Shinohara H., Kawahara H., Kobayashi Y. J. Am. Chem. Soc. 118:1996;2293.
20. Knight L.B., Mckinley A.J., Babb R.M., Hill D.W., Morse M.D. J. Chem. Phys. 99:1993;7376.
21. Åkeby H., Pettersson L.G.M., Siegbahn P.E.M. J. Chem. Phys. 97:1992;1850.
22. Pápai I., Castro M. Chem. Phys. Lett. 267:1997;551.
23. Takata M., Nishibori E., Umeda B., Sakata M., Yamamoto E., Shinohara H. Phys. Rev. Lett. 78:1997;330.
24. Nagase S., Kobayashi K., Akasaka T. J. Mol. Struct. (Theochem). 398:1997;221.
25. Stephens P.W., Bortel G., Faigel G., Tegze M., Janossy A., Pekker S., Oszlanyi G., Forro L. Nature (London). 370:1994;636.
26. Wang G., Komatsu K., Murata Y., Shiro M. Nature (London). 387:1997;583.
27. Choi C.H., Kertesz M. Chem. Phys. Lett. 282:1998;318.
28. Kobayashi K., Nagase S., Akasaka T. Chem. Phys. Lett. 261:1996;502.
29. Wan T.S.M., Zhang H.-W., Nakane T., Xu Z., Inakuma M., Shinohara H., Kobayashi K., Nagase S. J. Am. Chem. Soc. 120:1998;6806.