PhytoChem & BioSub Journal
Volume 7, Numéro 3, Pages 103-115
2013-11-25
Authors : Larbi A. . Belboukhari N. . Cheriti A. . Zanoun A. .
The vibrational IR spectra of several derivatives of imidazoline and their dipole moment have been calculated using the MNDO , AM1 and PM3 methods , using Jaguar software and the results are compared with those calculated from ab initio and density functional theory (DFT) calculation. The ability of the semi empirical methods to predict the vibrational frequencies has been probed.
Imidazoline; IR spectra; DFT; MNDO; AM1; PM3
بوسالم أحلام
.
عابد يوسف
.
ص 117-132.
Yahia Zeghoudi
.
pages 74-88.
Mimouni F.z.
.
Rahmouni A.
.
Djeradi H.
.
Belboukhari N.
.
Cheriti A.
.
pages 19-27.
Sid Assia
.
Selatnia Ilhem
.
pages 120-125.
Said Houari Amel
.
pages 257-268.