QSAR Relationships The Changes in the Ratio of Electrons to the Natural Charge of Atoms in the Complexes of Glycine and Alanine Amino Acids with Intermediates

In this paper, the quantum chemistry calculations related to the structural parameter of the three anions and the resulting complexes with glycine and alanine have been performed. The calculations were carried out using the HF and DFT method and in the base series 6-31G *. Natural Transplantation Or...

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Bibliographic Details
Main Author: Hamideh Shahzad
Format: Article
Language:English
Published: Iranian Chemical Science and Technologies Association 2017-04-01
Series:International Journal of New Chemistry
Subjects:
nbo
Online Access:http://www.ijnc.ir/article_35320_e178cc9940fd21414dc164212c191ba4.pdf