Cu+ binding energies. Dramatic failure of the G2 method vs. good performance of the B3LYP approach

Chemical Physics Letters

Volumn 320, Issue 1-2, 2000, Pages 129-138

  Luna, A ^a   Alcami M ^a   Mo O ^a   Yanez M ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000929572     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(00)00231-1     Document Type: Article

References (18)

1. B.S. Freiser (Ed.), Organometallic Ion Chemistry, Kluwer, Dordrecht, 1995.
2. Curtiss L.A., Raghavachari K., Trucks G.W., Pople J.A. J. Chem. Phys. 94:1991;7221.
3. Curtiss L.A., Raghavachari K., Pople J.A. J. Chem. Phys. 98:1993;1293.
4. Curtiss L.A., Redfern P.C., Smith B.J., Radom L. J. Chem. Phys. 104:1996;5148.
5. Luna A., Amekraz B., Tortajada J. Chem. Phys. Lett. 266:1997;31.
6. Langhof S.R., Bauschlicher C.W., Partridge H., Sodupe M. J. Chem. Phys. 95:1991;10677.
7. Walter D., Armentrout P.B. J. Am. Chem. Soc. 120:1998;3176.
8. Petrie S. J. Chem. Phys. 107:1997;3042.
9. Petrie S. J. Phys. Chem. A. 102:1998;6138.
10. Schulz A., Smith B.J., Radom L. J. Phys. Chem. A. 193:1999;7522.
11. M.J. Frisch et al., GAUSSIAN 94, Gaussian, inc., Pittsburgh, PA, 1995.
12. A. Luna, M. Alcamí, O. Mó, M. Yáñez, Int. J. Mass. Spectrom. (submitted).
13. Rodgers M.T., Walker B., Armentrout P.B. Int. J. Mass Spectrom. 182:1999;99.
14. Nobes R.H., Pople J.A., Radom L., Handy N.C., Knowles P.J. Chem. Phys. Lett. 138:1987;481.
15. Handy N.C., Knowles P.J., Somasundram K. Theor. Chim. Acta. 68:1985;87.
16. Kickel B.L., Armentrout P.B. J. Phys. Chem. 99:1995;2024.
17. P.B. Armentrout, personal communication.
18. Fisher E.R., Elkind J.L., Clemmer D.E., Georgiadis R., Loh S.K., Aristov N., Sunderlin L.S., Armentrout P.B. J. Chem. Phys. 93:1990;2676.