Amir Lashgari, Shahriar Ghammamy, Masomeh Shahsavari
Amir Lashgari, Shahriar Ghammamy, Masomeh Shahsavari*
Department of Chemistry, Faculty of Science, Imam Khomeini International University, Qazvin, Iran.
Volume - 7,
Issue - 7,
Year - 2014
In this paper, the optimized geometries and frequencies of the stationary point and the minimum-energy paths of C8H9ClN2O are calculated by using the DFT (B3LYP) methods with LANL2DZ basis sets. B3LYP/ LANL2DZ calculation results indicated that some selected bond length and bond angles values for the C8H9ClN2O.
Cite this article:
Amir Lashgari, Shahriar Ghammamy, Masomeh Shahsavari. Theoretical and Density Functional Theory (DFT) studies for the organic compound: 2-Amino-6-chloro-N-methylbenzamide. Asian J. Research Chem. 7(7): July 2014; Page 677-680.