Theoretical study on the structure and stability of Si4X (X = Li, Be, B, C, N, O, F) Clusters

Jiegou Huaxue

Volumn 23, Issue 12, 2004, Pages 1383-1387

  Sun, Ren An ^a   Li, Na ^a   Zhang, Xu ^a  

^a LIAONING NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory; Si clusters; Theoretical study

Indexed keywords

BERYLLIUM; BORON; CARBON; ELEMENT; FLUORIDE; LITHIUM; NITROGEN; OXYGEN;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CLUSTER ANALYSIS; GEOMETRY; THERMOSTABILITY; VIBRATION;

EID: 12444306337     PISSN: 02545861     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (12)

1. Raghavachari, K. J. Chem. Phys. 1986, 84, 5672-5682.
2. Rohlfing, C. M.; Raghavachari, K. Chem. Phys. Lett. 1990, 167, 559-565.
3. Ballone, P.; Andreoni, W.; Car, R.; parrinello, M. Phys. Rev. Lett. 1988, 60,271-274.
4. Jackson, K.; Pederson, M. R.; Porezag, D.; Hajnal, Z.; Frauenheim, T. Phys. Rev. B 1997, 55, 2549-2555.
5. Tsong, T. T. Appl. Phys. Lett. 1984, 45, 1149-1151.
6. Chelikowsky, J. R.; Phillips, J. C. Phys. Rev. lett. 1989, 63, 1653-1655.
7. Raghavachari, K. J. Chem. Phys. 1986, 84, 5672-5686.
8. Wei, S.; Barnett, R. N.; Landman, U. Phys. Rev. B 1997, 5, 7935-7944.
9. Hagelberg, F.; Yanov, I.; Leszczynski, J. J. Mole. Struct. 1999, 487, 183-192.
10. Aristides, D.; Zdetsis; George, F.; Max, M.; Helmar, T. J. Chem. Phys. 1996, 104, 2566-2573.
11. Sun, R. A.; Zhang, X.; Yan, J. Chinese J. Struct. Chem. (In Press).
12. Fisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, Jr. R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komarome, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonazalez, C.; Challacombe, M.; Gill, P. M. W.; Johmson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98 (Revision A.7). Gaussian, Inc.: Pittsburgh PA 1998.