Ab initio calculations of the structures and energies of gas phase isomeric C3N4 molecules

Chemical Physics Letters

Volumn 270, Issue 1-2, 1997, Pages 99-102

  Belbruno, Joseph J ^a  

^a Dartmouth College   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031574890     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00340-0     Document Type: Article

References (16)

1. [1] W. Schnick, Angew. Chem. 105 (1993) 1649.
2. [2] C. Niu, Y.Z. Lu, C.M. Lieber, Science 261 (1993) 335.
3. [3] H.W. Song, F.Z. Cui, X.M. He, W.Z. Li, H.D. Li, J. Phys.: Condens. Matter 6 (1994) 6125.
4. [4] K.M. Yu, M.L. Cohen, E.E. Haller, W.L. Hansen, A.Y. Liu, I.C. Wu, Phys. Rev. B: Condens. Matter 49 (1994) 5034.
5. [5] T.Y. Yen, C.P. Chou, Solid State Commun. 95 (1995) 281.
6. [6] Y. Li, Z. Zhang, S. Xie, G. Yang, Chem. Phys. Lett. 247 (1995) 253.
7. [7] Z. Wu, Y. Yu, X. Liu, Appl. Phys. Lett. 68 (1996) 1291.
8. [8] K.J. Boyd, D. Marton, S.S. Todorov, A.H. Al-Bayati, J. Kulik, R.A. Zuhr, J.W. Rabalais, J. Vac. Sci. Technol. A13 (1995) 2110.
9. [9] C.M. Lieber, Z. John Zhang, Adv. Mater. 6 (1994) 497.
10. [10] O. Matsumoto, T. Kotaki, H. Shikano, K. Takemura, S. Tanaka, J. Electrochem. Soc. 141 (1994) L16.
11. [11] Y. Zhang, Z. Zhou, H. Li, Appl. Phys. Lett. 68 (1996) 634.
12. [12] M.J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill, M.W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M.A. Robb, E.S. Replogle, R. Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. DeFrees, J. Baker, J.J.P. Stewart, J.A. Pople, GAUSSIAN 92, Revision A, Gaussian, Inc., Pittsburg, PA, 1992.
13. [13] J.J. BelBruno, Chem. Phys. Lett. 254 (1996) 321.
14. [14] J.J. BelBruno, Chem. Phys. Lett. 263 (1996) 84.
15. [15] W.J. Hehre, L. Radom, P.v.R. Schleyer, J.A. Pople, in Ab Initio Molecular Orbital Theory, Wiley, New York, 1986.
16. [16] D.M. Teeter, R.J. Hemley, Science 271 (1996) 53.