Title of article :
A theoretical study on methamphetamine: geometry, energies, NMR and NBO
Author/Authors :
Shakibayifar, Jamileh Department of Chemistry - Tehran Science and Research Branch - Islamic Azad University, Tehran , Zare, Karim Department of Chemistry - Tehran Science and Research Branch - Islamic Azad University, Tehran
Abstract :
The methamphetamine has been studied theoretically at the MP2 [1]/6-31G[2] level in gas phase.
Methamphetamine has been investigated Via NMR, Frequencies Calculation and NBO analysis. The
structure of methamphetamine was designed primarily using of Chem. Bio Draw and it geometry has
been optimized at the MP2/6-31G computational level. The present work consists the study of the
methamphetamine reported in Fig1. Frequencies calculations have been carried out to confirm that
the structure obtained correspond to energetic minima. The all calculations have been performed with
the Gaussian-03 program [3].
Keywords :
Methamphetamine , Theoretical , NBO , NMR
Journal title :
Astroparticle Physics
