Density functional study of palladium clusters

Physical Chemistry Chemical Physics

Volumn 5, Issue 16, 2003, Pages 3372-3381

  Nava, Paola ^a   Sierka, Marek ^a   Ahlrichs, Reinhart ^a  

^a UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND; PALLADIUM;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DENSITY; ENERGY; KINETICS; MOLECULAR STABILITY; STRUCTURE ANALYSIS;

EID: 1542276119     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b303347c     Document Type: Article

References (38)

1. L. J. de Jongh, Physics and Chemistry of Metal Cluster Compounds, Kluwer Academic Publishers, Dordrecht, 1994.
2. G. L. Estiú, J. Phys. Chem., 1994, 98, 4793.
3. N. T. Tran, M. Kawano and L. F. Dahl, J. Chem. Soc., Dalton Trans., 2001, 19, 2731.
4. I. A. Harris, R. S. Kidwell and J. A. Northby, Phys. Rev. Lett., 1984, 53, 2390.
5. C. J. Tsai and K. D. Jordan, J. Phys. Chem., 1993, 97, 11 227.
6. N. T. Tran, D. R. Powell and L. F. Dahl, Angew. Chem., Int. Ed. Engl., 2000, 39(22), 4121.
7. A. Schnepf and H. Schnöckel, Angew. Chem., Int. Ed. Engl., 2002, 41, 3532.
8. T. P. Martin, Phys. Rep., 1996, 273, 199.
9. R. Ahlrichs and S. D. Elliott, Phys. Chem. Chem. Phys., 1999, 1, 13.
10. A. Köhn, F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys., 2001, 3, 711.
11. S. Krüger, S. Vent, F. Nörtemann, M. Staufer and N. Rösch, J. Chem. Phys., 2001, 115(5), 2082.
12. C. Xiao, S. Krüger, T. Belling, M. Mayer and N. Rösch, Int. J. Quantum Chem., 1999, 74, 405.
13. C. Massen, T. V. Mortimer-Jones and R. L. Johnston, J. Chem. Soc., Dalton Trans., 2002, 23, 4375.
14. R. Ahlrichs, M. Bär, H. Horn and C. Kölmel, Chem. Phys. Lett., 1989, 162, 165.
15. M. Häser and R. Ahlrichs, J. Comput. Chem., 1989, 10, 104.
16. M. von Arnim and R. Ahlrichs, J. Comput. Chem., 1998, 19, 1746.
17. J. P. Perdew, Phys. Rev. B, 1986, 33(12), 8822.
18. J. P. Perdew, Phys. Rev. B, 1986, 34, 7046.
19. A. D. Becke, Phys. Rev. A, 1988, 38(6), 3098.
20. K. Eichkorn, O. Treutler, H. Öhm, M. Häser and R. Ahlrichs, Chem. Phys. Lett., 1995, 240, 283.
21. O. Treutler and R. Ahlrichs, J. Chem. Phys., 1995, 102, 346.
22. K. Eichkorn, F. Weigend, O. Treutler and R. Ahlrichs, Theor. Chem. Acc., 1997, 97, 119.
23. D. Andrae, U. Häussermann, M. Dolg, H. Stoll and H. Preuss, Theor. Chim. Acta, 1990, 77, 123.
24. K. Balasubramanian, J. Chem. Phys., 1989, 91(1), 307.
25. B. I. Dunlap and W. N. Mei, J. Chem. Phys., 1983, 78, 4997.
26. Q. Cui, D. G. Musaev and K. Morokuma, J. Chem. Phys., 1998, 108(20), 8418.
27. S. S. Lin, B. Strauss and A. Kant, J. Chem. Phys., 1969, 51, 2282.
28. J. Ho, K. M. Ervin, M. L. Polak, M. K. Gilles and W. C. Lineberger, J. Phys. Chem., 1991, 95(7), 4845.
29. M. D. Morse, Chem. Rev., 1986, 86, 1049.
30. K. Balasubramanian, J. Chem. Phys., 1988, 89, 5731.
31. A. G. Zacarias, M. Castro, J. M. Tour and J. M. Seminario, J. Phys. Chem. A, 1999, 103, 7692.
32. G. Valerio and H. Toulhoat, J. Phys. Chem., 1996, 100(26), 10827.
33. D. Dai and K. Balasubramanian, J. Chem. Phys., 1995, 103, 648.
34. E. Aprà and A. Fortunelli, J. Mol. Struct., 2000, 501-502, 251.
35. R. Lambert, S. Wetjen and N. I. Jaeger, Phys. Rev. B, 1995, 51(16), 10968.
36. J. Farges, M. F. de Feraudy, B. Raoult and G. Torchet, J. Chem. Phys., 1986, 84, 3491.
37. D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney and R. L. Nuttall, J. Phys. Chem. Ref. Data, Suppl., 1982, 11(2), 1.
38. I. V. Yudanov, R. Sahnoun, K. M. Neyman and N. Rösch, J. Chem. Phys., 2002, 117(21), 9887.