Yousif Mijbil, Z., Ibraheem Obaes, A., Kadhim Abed, M., Amir Nama, N., Jalil Najim, A., Bukheet Hassan, H., Ibrahim Aboud, H. (2005). The Electronic Properties of Dicyano Naphthalene Molecules Group. , 1(0), 236-240.
Z. Yousif Mijbil; A. Ibraheem Obaes; M. Kadhim Abed; Noor Amir Nama; Adil Jalil Najim; Huda Bukheet Hassan; Hamed Ibrahim Aboud. "The Electronic Properties of Dicyano Naphthalene Molecules Group". , 1, 0, 2005, 236-240.
Yousif Mijbil, Z., Ibraheem Obaes, A., Kadhim Abed, M., Amir Nama, N., Jalil Najim, A., Bukheet Hassan, H., Ibrahim Aboud, H. (2005). 'The Electronic Properties of Dicyano Naphthalene Molecules Group', , 1(0), pp. 236-240.
Yousif Mijbil, Z., Ibraheem Obaes, A., Kadhim Abed, M., Amir Nama, N., Jalil Najim, A., Bukheet Hassan, H., Ibrahim Aboud, H. The Electronic Properties of Dicyano Naphthalene Molecules Group. , 2005; 1(0): 236-240.

The Electronic Properties of Dicyano Naphthalene Molecules Group

journal of kerbala university
Article 1, Volume 1, Issue 0, 2005, Pages 236-240    PDF (0 K)
Authors
Z. Yousif Mijbil; A. Ibraheem Obaes; M. Kadhim Abed; Noor Amir Nama; Adil Jalil Najim; Huda Bukheet Hassan; Hamed Ibrahim Aboud
Abstract
The electronic properties of cyanonaphthalene molecules group were investigated depending on the B3LYP density functional theory. The best geometry for the structures of the studied molecules was investigated by using 6-31G** basis set. Total energies, electronic states, energy gaps, ionization potentials and electron affinities were calculated. As a result, the total energy for naphthalene was decrease linearly with the number of side group added to the ring. The forbidden energy gap was reduced and 1,3dicyanonaphthalene molecule has the smallest value.
Statistics
Article View: 267
PDF Download: 154


Journal Management System. Powered by iJournalPro.com