(2014). Calculation of spectrum characteristics for molecular (S2F2( in Infrared rays by using quantum mechanics of semi empirical. Alustath, 10(4), 38-49.
. "Calculation of spectrum characteristics for molecular (S2F2( in Infrared rays by using quantum mechanics of semi empirical". Alustath, 10, 4, 2014, 38-49.
(2014). 'Calculation of spectrum characteristics for molecular (S2F2( in Infrared rays by using quantum mechanics of semi empirical', Alustath, 10(4), pp. 38-49.
Calculation of spectrum characteristics for molecular (S2F2( in Infrared rays by using quantum mechanics of semi empirical. Alustath, 2014; 10(4): 38-49.

Calculation of spectrum characteristics for molecular (S2F2( in Infrared rays by using quantum mechanics of semi empirical

journal of kerbala university
Article 1, Volume 10, Issue 4, December 2014, Pages 38-49    PDF (0 K)
Abstract
The study in this search of spectral and thermal properties by using theoretical semi-empirical calculation to study the molecular structure for non-linear systems,that moleculer (S2F2) in Infra-red,by using semi-empirical programs and method (MNDO/PM3).This study happen whene we get the equilibrium structure for molecules at minimum total energy.
Also molecues primitive vibration frequencies located with in Infra-red region from spectrum ranged between (81.58-852.83) cm-1 .Also determined charge density distribution and electrostatic potential.
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