Theoretical study of rare earth trihalide dimers Ln2X6 (Ln=La, Dy; X=F, Cl, Br, I)

Chemical Physics Letters

Volumn 319, Issue 3-4, 2000, Pages 238-246

  Kovács, Attila ^a  

^a Res Grp for Organ Chem Technol   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000627829     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(00)00146-9     Document Type: Article

References (36)

1. Hargittai M. Coord. Chem. Rev. 91:1988;35.
2. M. Hargittai, Chem. Rev. (in press).
3. Myers C.E., Graves D.T. J. Chem. Eng. Data. 22:1977;436.
4. S. Boghosian, G.N. Papatheodorou, Handbook on the Physics and Chemistry of Rare Earths, Vol. 23, Elsevier, New York, 1996, p. 435.
5. Molnár J., Konings R.J.M., Kolonits M., Hargittai M. J. Mol. Struct. 375:1996;223.
6. Russo T.V., Martin R.L., Hay P.J. J. Phys. Chem. 99:1995;17085.
7. Seth M., Dolg M., Fulde P., Schwerdtfeger P. J. Am. Chem. Soc. 117:1995;6597.
8. Lanza G., Fragala I.L. J. Phys. Chem. A. 102:1998;7990.
9. Kovács A., Konings R.J.M., Booij A.S. Chem. Phys. Lett. 268:1997;207.
10. Adamo C., Maldivi P. Chem. Phys. Lett. 268:1997;61.
11. Adamo C., Maldivi P. J. Phys. Chem. A. 102:1998;6812. and see references therein.
12. Bock C.W., Trachtman M., Mains G.J. J. Phys. Chem. 97:1993;2546.
13. Williams S.D., Harper W., Mamantov G., Tortorelli L.J., Shankle G. J. Comput. Chem. 17:1996;1696.
14. Reed A.E., Curtiss L.A., Weinhold F. Chem. Rev. 88:1988;899.
15. R.F.W. Bader, Atoms in Molecules: A Quantum Theory. Oxford University Press, Oxford, 1990.
16. M.J. Frisch et al., GAUSSIAN98, Revision A.5, Gaussian, Inc., Pittsburgh, PA, 1998.
17. Dolg M., Stoll H., Savin A., Preuss H. Theor. Chim. Acta. 75:1989;173.
18. Bergner A., Dolg M., Küchle W., Stoll H., Preuß H. Mol. Phys. 80:1993;1431.
19. M. Dolg, Ph.D. Thesis, University of Stuttgart, Stuttgart, 1989.
20. J. Andzelm, S. Huzinaga, M. Klobukowski, E. Radzio, Y. Sakai, H. Tatekawi, Gaussian Basis Sets for Molecular Calculations, Elsevier, Amsterdam, 1984.
21. Ehlers A.W., Böhme M., Dapprich S., Gobbi A., Höllwarth A., Jonas V., Köhler K.F., Stegmann R., Veldkamp A., Frenking G. Chem. Phys. Lett. 208:1993;111.
22. Møller C., Plesset M.S. Phys. Rev. 46:1934;618.
23. Becke A.D. J. Chem. Phys. 98:1993;5648.
24. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
25. Perdew J.P. Phys. Rev. B. 33:1986;8822.
26. Spiridonov V.P., Gershikov A.G., Lyutsarev V.S. J. Mol. Struct. 221:1990;79.
27. Kendall R.A., Dunning T.H. Jr., Harrison R.J. J. Chem. Phys. 96:1992;6796.
28. Fletcher R., Powell M.J.D. Comput. J. 6:1963;163.
29. Boys S.F., Bernardi F. Mol. Phys. 19:1970;553.
30. Biegler-König F.W., Bader R.F.W., Ting-Hua T. J. Comput. Chem. 3:1982;317.
31. Molnár J., Hargittai M. J. Phys. Chem. 99:1995;10780.
32. N.N. Greenwood, A. Earnshaw, Chemistry of the Elements, Pergamon, Oxford, 1984.
33. Mulliken R.S. J. Chem. Phys. 23:1955;1833.
34. Cremer D., Kraka E. Angew. Chem. 96:1984;612.
35. Cremer D., Kraka E. Angew. Chem., Int. Ed. Engl. 23:1984;627.
36. Kovács A. J. Mol. Struct. 482 483:1999;403.