A study on the electronic and structural properties of fullerene C30 and azafullerene C18N12

Journal of Molecular Structure: THEOCHEM

Volumn 942, Issue 1-3, 2010, Pages 71-76

  Song, Jie ^a   Parker, Mathew ^a   Schoendorff, George ^a   Kus, Andrew ^a   Vaziri, Mojtaba ^a  

^a UNIVERSITY OF MICHIGAN FLINT   (United States)

Author keywords

Azafullerene; Fullerene; Stabilization

Indexed keywords

EID: 75149135614     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.11.040     Document Type: Article

References (33)

1. Kroto H.W. Nature 329 (1987) 529
2. Guo T., Diener M.D., Chai Y., Alford A.J., Haufler R.E., McClure S.M., Ohno T., Weaver J.H., Scuseria G.E., and Smally R.E. Science 257 (1992) 161
3. Mishra R.K., Lin Y.Y., and Lee S.L. Chem. Phys. Lett. 313 (1999) 437
4. Makurin Yu.N., Sofronov A.A., Gusev A.I., and Ivanovsky A.L. Chem. Phys. 270 (2001) 293
5. Grossman J.C., Cote M., Louie S.G., and Cohen M.L. Chem. Phys. Lett. 284 (1998) 344
6. Schultz D., Droppa R., Alvarez F., and dos Santos M.C. Phys. Rev. Lett. 90 (2003) 15501
7. Breda N., Broglia R.A., Colo G., Onida G., Provasi D., and Vigezzi E. Phys. Rev. B62 (2000) 130
8. Gan L., Liu J., Hui Q., Shao S., and Liu Z. Chem. Phys. Lett. 472 (2009) 224
9. Malolepsza E., Lee Y., Witek H.A., Irle S., Lin C., and Hsieh H. Inter. J. Quantum Chem. 109 (2009) 1999
10. Shi L., Chen B., Zhou J., Zhang T., Kang Q., and Chen M. J. Phys. Chem. A 112 (2008) 11724
11. Sun G., Nicklaus M.C., and Xie R. J. Phys. Chem. A 109 (2005) 4617
12. Pattanayak J., Kar T., and Scheiner S. J. Phys. Chem. A 108 (2004) 7681
13. Song J., and Vaziri M. Mol. Phys. 104 (2006) 319
14. Prinzbach H., Weiler A., Landenberger P., Wahl F., Wörth J., Scott L.T., Gelmont M., Olevano D., and Issendorff B.V. Nature 407 (2000) 60
15. Piskoti C., Yarger J., and Zettle A. Nature 393 (1998) 771
16. Schmalz T.G., Seitz W.A., Klein D.J., and Hite G.E. J. Am. Chem. Soc. 110 (1988) 1113
17. Diaz-Tendero S., Martin F., and Alcami M. ChemPhysChem 6 (2005) 92
18. Vaziri M. Mater. Lett. 60 (2006) 926
19. Becke A.D. J. Chem. Phys. 98 (1993) 5648
20. Stephens P.J., Devlin F.J., Chablowski D.F., and Frisch M.J. J. Phys. Chem. 98 (1994) 11623
21. Hertwig R.H., and Koch W. Chem. Phys. Lett. 268 (1997) 345
22. Moller C., and Plesset M.S. Phys. Rev. 46 (1934) 618
23. Dunning Jr. T.H. J. Chem. Phys. 90 (1989) 1007
24. Martin J.M.L., El-Yazal J., and Francois J.P. Chem. Phys. Lett. 248 (1996) 345
25. Martin J.M.L., El-Yazal J., and Francois J.P. Chem. Phys. Lett. 242 (1995) 570
26. Martin J.M.L., El-Yazal J., and Francois J.P. Chem. Phys. Lett. 244 (1995) 120
27. Martin J.M.L. J. Chem. Phys. 100 (1994) 8186
28. Martin J.M.L., El-Yazal J., and Francois J.P. Mol. Phys. 86 (1995) 1437
29. Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.H., Koseki S., Matsunaga N., Nguyen K.A., Su S.J., Windus T.L., Dupuis M., and Montgometry J.A. J. Comp. Chem. 14 (1993) 1347
30. Fletcher G.D., Schmidt M.W., and Gordon M.S. Adv. Chem. Phys. 110 (1999) 267
31. Fletcher G.D., Schmidt M.W., Bode B.M., and Gordon M.S. Comput. Phys. Commun. 128 (2000) 190
32. Bode B.M., and Gordon M.S. J. Mol. Graph. Model. 16 (1998) 133
33. Silverstein R.M., Bassler G.C., and Morrill T.C. Spectrometric Identification of Organic Compounds (1991), John Wiley & Sons, New York