Theoretical study on structures and electronic spectra of linear chain cluster BC2nB (n=1-12)

Acta Chimica Sinica

Volumn 63, Issue 2, 2005, Pages 131-137

  Zhang, Jing Lai ^a   Wang, Lian Bin ^a   Wu, Wen Peng ^a   Cao, Ze Xing ^b  

^a HENAN UNIVERSITY   (China)

^b XIAMEN UNIVERSITY   (China)

Author keywords

Analytic expression; DFT and TD DFT; Electronic spectra; Ionization energy; Linear cluster BC2nB

Indexed keywords

EID: 28544449191     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (17)

1. Robertson, N.; McGowan, C. A. Chem. Soc. Rev. 2003, 32, 96.
2. Huang, R.-B.; Wang, C.-R.; Liu, Z.-Y.; Zheng, L.-S.; Qi, F.; Sheng, L.-S.; Yu, S.-Q.; Zheng, Y. W. Z. Phys. D 1995, 33, 49.
3. Leleyter, M. Z. Phys. D 1991, 20, 81.
4. Leleyter, M. Z. Phys. D 1991, 20, 85.
5. Burnin, A.; BelBruno, J. J. J. Phys. Chem. A 2003, 107, 9547.
6. Vuitton, V.; Scemama, A.; Gazeau, M. C.; Chaquin, P.; Benilan, Y. Adv. Space Res. 2001, 27, 283.
7. Linn, S. H.; Ono, Y.; Ng, C. Y. J. Chem. Phys. 1981, 74, 3342.
8. Ono, Y.; Linn, S. H.; Prest, H. F.; Gress, M. E.; Ng, C. Y. J. Chem. Phys. 1981, 73, 2523.
9. Barnett, R. N.; Landman, U.; Cleveland, C. L.; Jortner, J. Chem. Phys. Lett. 1988, 145, 382.
10. Li, X. Z.; Paldus, J. Int. J. Quantum Chem. 1999, 74, 177.
11. Horný, L.; Nicholas, D. K.; Petraco, N. D. K.; Schaefer III, H. F. J. Am. Chem. Soc. 2002, 124(20), 5861.
12. Horný, L.; Petraco, N. D. K.; Schaefer III, H. F. J. Am. Chem. Soc. 2002, 124(49), 14716.
13. Zhang, C.-J.; Cao, Z.-X.; Wu, H.-S.; Xu, X.; Zhang, Q.-E. Acta Phys.-Chim. Sin. 2002, 18(1), 585 (in Chinese).
14. Zhang, C.-J.; Cao, Z.-X.; Wu, H.-S.; Zhang, Q.-E. Int. J. Quantum Chem. 2004, 98, 299.
15. Pascoli, G.; Lavendy, H. Eur. Phys. J. D 2002, 19, 339.
16. Cao, Z.-X.; Zhang, Q.-E. Chem. Eur. J. 2004, 10, 1920.
17. Kim, K. H.; Lee, B.; Lee, S. Chem. Phys. Lett. 1998, 297, 65.