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Shakibayifar, Jamileh, Zare, Karim. (1393). A theoretical study on methamphetamine: geometry, energies, NMR and NBO. , 11(2), 63-68.
Jamileh Shakibayifar; Karim Zare. "A theoretical study on methamphetamine: geometry, energies, NMR and NBO". , 11, 2, 1393, 63-68.
Shakibayifar, Jamileh, Zare, Karim. (1393). 'A theoretical study on methamphetamine: geometry, energies, NMR and NBO', , 11(2), pp. 63-68.
Shakibayifar, Jamileh, Zare, Karim. A theoretical study on methamphetamine: geometry, energies, NMR and NBO. , 1393; 11(2): 63-68.

A theoretical study on methamphetamine: geometry, energies, NMR and NBO

Journal of Physical & Theoretical Chemistry
مقاله 2، دوره 11، شماره 2، مهر 2014، صفحه 63-68  XML اصل مقاله (225.6 K)
نوع مقاله: Research Paper
نویسندگان
Jamileh Shakibayifar email ؛ Karim Zare email
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چکیده
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].
کلیدواژه‌ها
Methamphetamine؛ Theoretical؛ NBO؛ NMR
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