Ab initio and lattice dynamics studies of the vibrational and geometrical properties of the molecular complex of hydroquinone and C 60

Chemical Physics Letters

Volumn 312, Issue 2-4, 1999, Pages 299-305

  Belosludov, Rodion V ^a,b   Sluiter, Marcel ^a   Li, Zhi Qiang ^a   Kawazoe, Yoshiyuki ^a  

^a TOHOKU UNIVERSITY   (Japan)

^b NIKOLAEV INSTITUTE OF INORGANIC CHEMISTRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001738880     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(99)00951-3     Document Type: Article

References (24)

1. Hebard A.F., Rosseinsky M.J., Haddon R.C., Murphy D.W., Glarum S.H., Palstra T.T., Ramirez A.P., Kortan A.R. Nature. 350:1991;600.
2. Allemand P.M., Khemani K.C., Koch A., Wudl F., Holczer K., Donovan S., Grüner G., Thompson J.D. Science. 253:1991;301.
3. Stephens P.W., Cox D., Lauher J.W., Mihaly L., Wiley J.B., Allemand P., Hirsch A., Holczer K., Li Q., Thompson J.D., Wudl F. Nature. 355:1992;331.
4. C. Bossard, S. Rigaut, D. Astruc, M.H. Delvile, G. Félix, A.F. Bouvier, J. Amiell, S. Flandrois, P. Delhaès, J. Chem. Soc. Chem. Commun. (1993) 333.
5. Saito G., Teramoto T., Otsuka A., Sugita Y., Ban T., Kusunoki M., Sakaguchi K. Synth. Met. 64:1994;359.
6. Ermer O. Helv. Chim. Acta. 74:1991;1339.
7. van der Waals J.H., Platteeuw J.C. Advan. Chem. Phys. 2:1959;1.
8. Belosludov V.R., Lavrentiev M.Yu., Dyadin Yu.A. J. Incl. Phenomen. 10:1991;399.
9. Zubkus V.E., Tornau E.E., Belosludov V.R. Advan. Chem. Phys. 81:1992;269.
10. Belosludov R.V., Belosludov V.R., Zubkus V.E. J. Chem. Phys. 103:1995;2773.
11. S. Califano, V. Schettino, N. Neto, Lattice Dynamics of Molecular Crystal, Springer, New York, 1981.
12. Belosludov R.V., Igumenov I.K., Belosludov V.R., Shpakov V.P. Mol. Phys. 82:1994;51.
13. S.K. Godunov, Solution of Sets of Linear Equations, Nauka, Novosibirsk, 1980 (in Russian).
14. 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. Binkey, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, GAUSSIAN 94, Revision B.1, GAUSSIAN, Inc., Pittsburgh, PA, 1995.
15. Roothaan C.C.J. Rev. Mod. Phys. 23:1951;69.
16. Hariharan P.C., Pople J.A. Mol. Phys. 27:1974;209.
17. Zubkus V.E., Shamovsky I.L. Chem. Phys. Lett. 195:1992;135.
18. Weiner S.I., Kollman P.A., Nguyen D.T., Case D.A. J. Comput. Chem. 7:1986;230.
19. Yannoni C.S., Bernier P.P., Bethune D.S., Meijer G., Salem J.R. J. Am. Chem. Soc. 113:1991;3190.
20. de Coulon V., Martins J.L., Reuse F. Phys. Rev. B. 45:1992;13671.
21. Disch R.L., Schulman J.M. Chem. Phys. Lett. 125:1986;465.
22. Kohanoff J., Andreoni W., Parrinello M. Chem. Phys. Lett. 198:1992;472.
23. Scuseria G.E. Chem. Phys. Lett. 176:1991;423.
24. Bohnen K.-P., Heid R., Ho K.-M., Chan C.T. Phys. Rev. B. 51:1995;5805.