Abstract
We report on glutamic acid rotation and its stable conformer in gas phase. The calculations were performed by HF/6-31G* and B3lyp/6-31G* levels of theory. There is a pertubation in the population diagram of the C3 that shows nucleophilic or radical attack will probably occur at this site. This fact is confirmed by the charge distribution and CSA (chemical shift anisotropy) diagrams. The energies and the relative energies are given as a function of rotational angle. Also, low and high-energy barriers of N-H rotation computed at various level of theory have been obtained. Vibrational frequencies of the structure were done to verify the minima of the energy.
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