Comparison of Hartree Factor and Density Function Theory in Calculating Coating Constants and NMR Parameters of Chromate and Molecular Complexes with Alanine and Glycine

Nguyen, Vinod

doi:10.22034/ijnc.2017.35319

Document Type : Research Paper

Author

Vinod Nguyen

Department of Chemistry, Faculty of Sciences, Ibn Zohr University, Agadir- Morocco

https://doi.org/10.22034/ijnc.2017.35319

Abstract

Chromium and molybdenum are intermediate elements of a periodic table group, both of which are both low but essential in nutrition because they play a key role in the metabolism of the chemical activity of the body. Anion analysis of these compounds in order to compare the properties of the elements of the periodic table in one The group is from the periodic table. In this paper, the quantum chemistry calculations related to the structural parameter of the two anions and the resulting complexes with glycine and alanine have been performed. The calculations have been done by HF and DFT methods and in the base series 6-31G *. NMR parameters and fixed tensors of coating and their changes have been considered. In this regard, the differences in the method in the accuracy of measurements have been considered.

Keywords

References

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International Journal of New Chemistry

Comparison of Hartree Factor and Density Function Theory in Calculating Coating Constants and NMR Parameters of Chromate and Molecular Complexes with Alanine and Glycine

References

References

Volume 4, Issue 1
January 2017
Pages 17-27

Comparison of Hartree Factor and Density Function Theory in Calculating Coating Constants and NMR Parameters of Chromate and Molecular Complexes with Alanine and Glycine

References

References

Volume 4, Issue 1January 2017Pages 17-27

Volume 4, Issue 1
January 2017
Pages 17-27