Structural stability and electronic state of transition metal trimers

Journal of Chemical Physics

Volumn 121, Issue 10, 2004, Pages 4699-4704

  Wu, Z J ^a   Zhang, H J ^a   Meng, J ^a   Dai, Z W ^b   Han, B ^b   Jin, P C ^b  

^a CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY   (China)

^b JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DIMERS; ELECTRONIC STRUCTURE; GROUND STATE; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PARAMAGNETIC RESONANCE; QUENCHING;

DENSITY FUNCTIONAL METHODS; ELECTRONIC STATE; STRUCTURAL STABILITY; TRIMERS;

TRANSITION METALS;

EID: 4544372721     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1781616     Document Type: Article

References (35)

1. J. R. Lombardi and B. Davis, Chem. Rev. (Washington, D.C.) 102, 2431 (2002).
2. M. D. Morse, Chem. Rev. (Washington, D.C.) 86, 1049 (1986).
3. S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 83, 5735 (1985).
4. H. Haouari, H. Wang, R. Craig, J. R. Lombardi, and D. M. Lindsay, J. Chem. Phys. 103, 9527 (1995).
5. D. Dai and K. Balasubramanian, Chem. Phys. Lett. 231, 352 (1994).
6. H. Wang, Z. Hu, H. Haouari, R. Craig, Y. Liu, J. R. Lombardi, and D. M. Lindsay, J. Chem. Phys. 106, 8339 (1997).
7. D. Dai, S. Roszak, and K. Balasubramanian, Chem. Phys. Lett. 308, 495 (1999).
8. P. C. Jin, B. Han, D. W. Dai, and Z. J. Wu, J. Mol. Struct.: THEOCHEM 680, 1 (2004).
9. L. B. Knight, Jr., R. W. Woodward, R. J. Van Zee, and W. Weltner, Jr., J. Chem. Phys. 79, 5820 (1983).
10. M. Moskovits, D. P. DiLella, and W. Limm, J. Chem. Phys. 80, 626 (1984).
11. D. Dai and K. Balasubramanian, J. Chem. Phys. 98, 7098 (1993).
12. D. B. Zhang and J. Shen, J. Chem. Phys. 120, 5104 (2004).
13. Y. H. Luo and Y. Z. Wang, Phys. Rev. A 64, 015201 (2001).
14. S. Erkoc, T. Bastug, M. Hirata, and S. Tachimori, Chem. Phys. Lett. 314, 203 (1999).
15. T. Bastug, S. Erkoc, M. Hirata, and S. Tachimori, Phys. Rev. A 59, 3690 (1999).
16. B. Zhao, H. Y. Lu, J. Jules, and J. R. Lombardi, Chem. Phys. Lett. 362, 90 (2002).
17. Z. J. Wu, J. S. Shi, S. Y. Zhang, and H. J. Zhang, Phys. Rev. A69, 064502 (2004).
18. Z. J. Wu, Chem. Phys. Lett. 383, 251 (2004).
19. J. L. Jules and J. R. Lombardi, J. Phys. Chem. A 107, 1268 (2003).
20. S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 112, 545 (2000).
21. B. V. Reddy, S. K. Nayak, S. N. Khanna, B. K. Rao, and P. Jena, J. Phys. Chem. A 102, 1748 (1998).
22. H. Cheng and L.-S. Wang, Phys. Rev. Lett. 77, 51 (1996).
23. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., Gaussian, Inc., Pittsburgh PA, 1998.
24. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
25. J. P. Perdew and Y. Wang, in Electronic Structures of Solids '91, edited by P. Ziesche and H. Eschrig (Akademie, Berlin, 1991).
26. J. P. Perdew, Phys. Rev. B 33, 8822 (1986).
27. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
28. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
29. A. D. Becke, J. Chem. Phys. 98, 1372 (1993).
30. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996); 78, 1396 (1997).
31. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996); 78, 1396 (1997).
32. W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 70, 612 (1992).
33. F. Ban, J. W. Gauld, and R. J. Boyd, J. Am. Chem. Soc. 123, 7320 (2001).
34. F. Himo and P. E. M. Siegbahn, J. Phys. Chem. B 104, 7502 (2000).
35. L. A. Curtiss, P. C. Redfern, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 114, 108 (2001).