Journal :   Research Journal of Pharmacy and Technology

Volume No. :   11

Issue No. :  9

Year :  2018

Pages :   3978-3982

ISSN Print :  0974-3618

ISSN Online :  0974-360X


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Optimization Geometry of Benzamide and Di-Fluorine Benzamide Molecules



Address:   Fatin Fadhel Mahmood
College of Education for Pure Sciences, University of Babylon, Hilla, Iraq
*Corresponding Author
DOI No: Research J. Pharm. and Tech 2018; 11(9):3978-3982.

ABSTRACT:
B3LYP density functional theory calculations were used together with 6-31 G basis sets to determine the geometrical parameters of benzamide and di-fluorine benzamide molecules. We showed the calculated bonds are agree with those for aromatic rings with good values of virial ratio for all molecules. The density of states for benzamide molecule was effected by adding the fluorine atoms in the terminal ends of phenyl rings, di-fluorine benzamide have large number of degeneracy of energy levels in comparison with benzamide structure.
KEYWORDS:
Geometry, Benzamide, Di-Fluorine Benzamide
Cite:
Fatin Fadhel Mahmood. Optimization Geometry of Benzamide and Di-Fluorine Benzamide Molecules. Research J. Pharm. and Tech 2018; 11(9):3978-3982.
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