A new look at the structure and vibrational spectra of small niobium clusters and their ions

Journal of Physical Chemistry C

Volumn 114, Issue 31, 2010, Pages 13210-13218

  Nhat, Pham Vu ^b   Ngan, Vu Thi ^a   Nguyen, Minh Tho ^a,c  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b CAN THO UNIVERSITY   (Viet Nam)

^c INSTITUTE FOR COMPUTATIONAL SCIENCE AND TECHNOLOGY   (Viet Nam)

Author keywords

[No Author keywords available]

Indexed keywords

3-D SHAPE; BASIS SETS; CATIONIC CLUSTER; CCSD CALCULATIONS; CLOSE-IN; DFT CALCULATION; DOUBLET GROUND STATE; ELECTRONIC SHELLS; EXPERIMENTAL DATA; HIGH SPINS; IONIZATION ENERGIES; NIOBIUM CLUSTER; NUMBER OF ELECTRONS; ODD NUMBERS; RELATIVE ENERGIES; SYSTEMS POSSESSING; THERMODYNAMICALLY STABLE; VALENCE ELECTRON;

ELECTRONIC STRUCTURE; GROUND STATE; IONS; NIOBIUM; THREE DIMENSIONAL; VIBRATIONAL SPECTRA;

ELECTRONS;

EID: 77955386135     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp103484k     Document Type: Article

References (34)

1. Schmid, G. Adv. Eng. Mater. 2001, 3, 737
2. Loh, S. K.; Lian, L.; Armentrout, P. B. J. Am. Chem. Soc. 1989, 111, 91-3168
3. Knickelbein, M. B.; Yang, S. J. Chem. Phys. 1990, 93, 1476-5760
4. Hales, D. A.; Lian, L.; Armentrout, P. B. Int. J. Mass Spectron Ion Processes 1990, 102, 269
5. Knickelbein, M. B.; Menezes, W. J. C. Phys. Rev. Lett. 1992, 69, 1046
6. Menezes, W. J. C.; Knickelbein, M. B. J. Chem. Phys. 1993, 98, 1856
7. Collings, B. A.; Athanassenas, K.; Rayner, D. M.; Hackett, P. A. Z. Phys. D: At. Mol. Clusters 1993, 26, 36
8. James, A. K.; Kowalczyk, P.; Fournier, R.; Simard, B. J. Chem. Phys. 1993, 99, 8504
9. Fielicke, A.; Ratsch, C.; Von Helden, G.; Meijer, G. J. Chem. Phys. 2005, 122, 091105
10. Fielicke, A.; Ratsch, C.; Von Helden, G.; Meijer, G. J. Chem. Phys. 2007, 127, 234306
11. Kietzmann, H.; Morenzin, J.; Bechthold, P. S.; Ganteför, G.; Eberhardt, W.; Yang, D. S.; Hackett, P. A.; Fournier, R.; Pang, T.; Chen, C. Phys. Rev. Lett. 1996, 77, 4528
12. Kietzmann, H.; Morenzin, J.; Bechthold, P. S.; Gantefor, G.; Eberhardt, W. J. Chem. Phys. 1998, 109, 2275
13. Wrigge, G.; Hoffmann, M. A.; Von Issendorff, B.; Haberland, J. Eur. Phys. J. D 2003, 24, 23
14. Zhai, H. J.; Wang, B.; Huang, X.; Wang, L. S. J. Phys. Chem. A 2009, 113, 3866
15. Goodwin, L.; Salahub, D. R. Phys. Rev. A 1993, 47, R774
16. Gronbeck, H.; Rosen, A. Phys. Rev. B 1996, 54, 1549
17. Gronbeck, H.; Rosen, A.; Andreoni, W. Phys. Rev. A 1998, 58, 4630
18. Fournier, R.; Pang, T.; Chen, C. Phys. Rev. A 1998, 57, 3683
19. Fowler, J. E.; Garcia, A.; Ugalde, J. M. Phys. Rev. A 1999, 60, 3058
20. Balasubramanian, K.; Zhu, X. L. J. Chem. Phys. 2001, 114, 10375
21. Kumar, V.; Kawazoe, Y. Phys. Rev. B 2002, 65, 125403
22. Majumdar, D.; Balasubramanian, K. J. Chem. Phys. 2001, 115, 885
23. Majumdar, D.; Balasubramanian, K. J. Chem. Phys. 2003, 119, 12866
24. Majumdar, D.; Balasubramanian, K. J. Chem. Phys. 2004, 121, 4014
25. Janssens, E.; Neukermans, S.; Lievens, P. Curr. Opin. Solid State Mater. Sci. 2004, 8, 185
26. Frisch, M. J. Gaussian 03, revision B.03; Gaussian, Inc., Wallingford, CT, 2003. The full reference is given in the Supporting Information.
27. Werner, H. J., MOLPRO, Version 2009.2, a package of ab initio programs.
28. Peterson, K. A. J. Chem. Phys. 2003, 119, 11099
29. Peterson, K. A.; Figgen, D.; Goll, E.; Stoll, H.; Dolg, M. J. Chem. Phys. 2003, 119, 11113
30. Peterson, K. A.; Puzzarini, C. Theor. Chem. Acc. 2005, 114, 283
31. Roos, B. O.; Lindh, R.; Malmqvist, P. A.; Veryazov, V.; Widmark, P. O. J. Phys. Chem. A 2005, 109, 6575
32. Iseda, M.; Nishio, T.; Han, S. Y.; Yoshida, H.; Terasaki, A.; Kondow, T. J. Chem. Phys. 1997, 106, 2182
33. Gronbeck, H.; Rosen, A. J. Chem. Phys. 1997, 107, 10620
34. Tenderholt, A. PyMOlyze-2.0; Stanford University, Stanford, CA, 2005.