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