Assignment of terahertz vibrational modes of L-glutamine using density functional theory within generalized-gradient approximation*
Zhang Hana), Zhang Zhao-Huia), Zhao Xiao-Yan†a), Zhang Tian-Yaoa), Yan Fanga), Shen Jiangb)
       
Molecular packing in unit cell, hydrogen bonds are indicated as 1, 2, and 3 using dashed lines (a) and isolated Gln molecule in the form of zwitterion, dark gray atoms are carbon, white are hydrogen, red are oxygen, and blue are nitrogen (b).