Title of article :
The usage comparison of occupancy parameters, gap band energy, Nmax at Xylometazoline medicine ratio its medical conveyer nano
Author/Authors :
Ahmadi، M. R. نويسنده , , Boroushaki، T. نويسنده Student of master, Islamic Azad University, Shahre-Rey, Tehran, Iran. , , Ezzati، M. نويسنده Student of master, Islamic Azad University, Shahre-Rey, Tehran, Iran. ,
Issue Information :
فصلنامه با شماره پیاپی 21 سال 2015
Pages :
4
From page :
19
To page :
22
Abstract :
For analyzing of compositions molecular orbitals in this article in order to combination only- xylometazolin-C7 X2 (XY) and C60– xylometozolin-C65-X2 (FXY), first got energies of highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) by using NBO analyze in Gaussian 03 software. Then, occupancy parameter, gap of energy, and ?Nmax were calculated by support of these energies. All calculations were implemented in gaseous phase by using of (DFT) method and basis series 6-31G**.
Journal title :
International Journal of Nano Dimension (IJND)
Serial Year :
2015
Journal title :
International Journal of Nano Dimension (IJND)
Record number :
1435238
Link To Document :
بازگشت