Comparative study on the structure and properties of small Cn and NaCn clusters

European Physical Journal D

Volumn 46, Issue 1, 2008, Pages 93-101

  Liang, X ^a   Luo, Y H ^a   Feng, X J ^a   Cao, T T ^a   Zhao, L X ^a  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ELECTRONIC PROPERTIES; ISOMERS;

COMPARATIVE STUDIES; STRUCTURE AND PROPERTIES; THREE-DIMENSIONAL STRUCTURE;

DENSITY FUNCTIONAL THEORY;

EID: 37749046558     PISSN: 14346060     EISSN: 14346079     Source Type: Journal    
DOI: 10.1140/epjd/e2007-00299-9     Document Type: Article

References (28)

1. H.W. Kroto, J.R. Heath, S.C. O'Brien, R.F. Curl, R.E. Smalley, Nature 318, 162 (1985)
2. S. Sokolova, A. Lchow, J.B. Anderson, Chem. Phys. Lett. 323, 229 (2000)
3. Y. Achiba et al., Chem. Phys. Lett. 7, 98 (1991)
4. J.M. Planeix, N. Coustel, B. Coq, V. Brotons, P.S. Kumbhar, R. Dutartre, P. Geneste, P. Bernier, P.M. Ajayan, J. Am. Chem. Soc. 116, 7935 (1994)
5. N.S. Lee, D.S. Chung, I.T. Han, J.H. Kang, Y.S. Choi, H.Y. Kim, S.H. Park, Y.W. Jin, W.K. Yi, M.J. Yun, J.E. Jung, C.J. Lee, J.H. You, S.H. Jo, C.G. Lee, J.M. Kim, Diam. Rel. Mat. 10, 265 (2001)
6. S. Fan, W. Liang, H. Dang, N. Franklin, T. Tombler, M. Chapline, H. Dai, Phys. E. 8, 179 (2000)
7. Y.L. Bai, X.R. Chen, X.D. Yang, P.F. Lu, Commun. Theor. Phys. 41, 89 (2004)
8. Y. Shlyakhter, S. Sokolova, A. Luchow, J.B. Anderson, J. Chem. Phys. 110, 10725 (1999)
9. R.O. Jones, J. Chem. Phys. 110, 5189 (1999)
10. K. Raghavachari, J.S. Binkley, J. Chem. Phys. 87, 2191 (1987)
11. S. Xu, M. Zhang, Y. Zhao, B. Chen, J. Zhang, C. Sun, Chem. Phys. Lett. 421, 444 (2006)
12. G. Li, Z. Tang, J. Phys. Chem. 107, 5317 (2003)
13. P. Redondo, C. Barrientos, A. Cimas, A. Largo, J. Phys. Chem. 108, 212 (2004)
14. C. Barrientos, P. Redondo, A. Largo, Chem. Phys. Lett. 343, 563 (2001)
15. A. Largo, P. Redondo, C. Barrientos, J. Phys. Chem. 108, 6421 (2004)
16. P. Redondo, C. Barrientos, A. Largo, J. Phys. Chem. 108, 11132 (2004)
17. P. Redondo, C. Barrientos, A. Cimas, A. Largo, J. Phys. Chem. 107, 4676 (2003)
18. P. Redondo, C. Barrientos, A. Cimas, A. Largo, J. Phys. Chem. 107, 6317 (2003)
19. A. Largo, P. Redondo, C. Barrientos, J. Phys. Chem. 106, 4217 (2002)
20. P. Redondo, C. Barrientos, A. Largo, Int. J. Quantum Chem. 96, 615 (2004)
21. A.D. Becke, J. Chem. Phys. 98, 5648 (1993)
22. C. Lee, W. Yang, R.G. Parr, Phys. Rev. 37, 785 (1988)
23. K.P. Huber, G. Herzberg, Constants of Diatomic Molecules (Van Nostrand Reinhold, New York, 1979)
24. M.J. Frisch, G.M. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, 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, 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.G. Johnson, W. Chen, M.W. Wang, C. Gonzales, J.A. Pople, Gaussian 03 (reVision C.02) (Gaussian Inc., Pittsburgh, PA, 2003)
25. B.K. Agrawal, S. Agrawal, S. Singh, J. Nanosci. Nanotech. 5, 443 (2005)
26. J. Drowart, R.P. Burns, G. DeMaria, M.G. Inghram, J. Chem. Phys. 31, 1131 (1959)
27. D.R. Stull, H. Prophet, Natl. Stand. Ref. Data. Ser. Natl. Bur. Stand. 37 (1971)
28. J.L. Wang, G.H. Wang, J.J. Zhao, Phys. Rev. B. 64, 205411 (2001)