First principles study of the structures, electronic states and stabilities of AlnCu (n=2-7) clusters

Journal of Molecular Structure: THEOCHEM

Volumn 755, Issue 1-3, 2005, Pages 75-79

  Yang, Peng ^a   Ge, Jian Hua ^a   Jiang, Zhen Yi ^b  

^a XIDIAN UNIVERSITY   (China)

^b XI'AN JIAOTONG UNIVERSITY   (China)

Author keywords

AlnCu clusters; Geometric configuration; Stability

Indexed keywords

EID: 28944449176     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.08.002     Document Type: Article

References (20)

1. H.W. Kroto, J.R. Heath, S.C. O'Brian, R.F. Curl, and E. Smalley Nature 318 1985 162 London
2. B.C. Guo, K.P. Kerns, and A.W. Castleman Jr. Science 255 1992 1411
3. R.E. Leuchtner, A.C. Harms, and A.W. Castleman Jr. J. Chem. Phys. 94 1991 1093
4. A. Walt, P. de Heer, and A. Milani Chatelain Phys. Rev. Lett. 63 1989 2834
5. K.E. Schriver, J.L. Persson, E.C. Honea, and R.L. Whetten Phys. Rev. Lett. 64 1990 2539
6. X. Li, A.E. Kuznetsov, H.-F. Zhang, A.I. Boldyrev, and L.-S. Wang Science 291 2001 859
7. X. Li, H.F. Zhang, L.S. Wang, A.E. Kuznetsov, N.A. Cannon, and A.I. Boldyrev Angew. Chem. Int. Ed. Engl. 40 2001 1867
8. S.N. Khanna, C. Ashman, B.K. Rao, and P. Jena J. Chem. Phys. 114 2001 9792
9. O.C. Thomas, W.J. Zheng, and K.H. Bowen Jr. J. Chem. Phys. 114 2001 5514
10. O.C. Thomas, W.J. Zheng, T.P. Lippa, S.J. Xu, S.A. Lyapustina, and K.H. Bowen Jr. J. Chem. Phys. 114 2001 9895
11. A. Nakajima, K. Hoshino, T. Naganuma, Y. Sone, and K. Kaya J. Chem. Phys. 95 1991 7061
12. A. Pramann, A. Nakajima, and K. Kaya J. Chem. Phys. 115 2001 5404
13. P.V.R. Schleyer, C. Maerker, A. Dransfeld, H.-J. Jiao, and N. Hommes J. Am. Chem. Soc. 118 1996 6317
14. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuta, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople. GAUSSIAN 03, Revision A.1, Gaussian Inc., Pittsburgh PA, 2003.
15. M.F. Cai, T.P. Djugan, and V.E. Bondybey Chem. Phys. Lett. 155 1989 430
16. R.S. Ram, C.N. Jarman, and P.F. Bernath J. Mol. Spectrosc. 156 1992 468
17. J.M. Behm, C.A. Arrington, J.D. Langenberg, and M.D. Morse J. Chem. Phys. 99 1993 6394
18. R.O. Jones J. Chem. Phys. 99 1993 1194
19. B.K. Rao, and P. Jena J. Chem. Phys. 111 1999 1890
20. A.E. Kuznetsov, A.I. Boldyrev, H.J. Zhai, X. Li, and L.S. Wang J. Am. Chem. Soc. 124 2002 11791