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Quantum Chemical Calculation of the Monoaminocarbonic Acids

Vladimir Babkin1, Andrei Tsykanov1, Olga Buzinova3, Gennady Zaikov2 and Alexander Rahimov1
Affiliation: 
1 SF VolgSABU; 21, Michurina str., 403343 Mikhailovka, Volgograd region, sfi@reg.avtlg.ru 2 Institute of Biochemical Physics, Russian Academy of Sciences; 4 Kosygin str. 117997 Moscow, chembio@sky.chph.ras.ru 3 Volgograd State Pedagogic University; 27, Lenin Av., 400131 Volgograd
DOI: 
https://doi.org/10.23939/chcht04.02.107
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Keywords:

Abstract: 
For the first time quantum chemical MNDO method has been used for the calculation of a classical row of monoaminocarbonic acids of glycines, α-alanines, β-alanines, valines, isoleucines, norvalines and γ–aminobutyric acids, leucines and phenylalanines. The optimized geometrical and electronic structure of these compounds has been received.
References: 

[1] Shmidt M., Baldrosge K. et al.: J.Computchem., 1993, 14, 1347.

[2] Clark T.: Kompjuternaja khimiya. Mir, Moskwa 1990.

[3] Bode B. and Gordon M.: Mol. Graphics Mod., 1998, 16, 133.
https://doi.org/10.1016/S1093-3263(99)00002-9

[4] Babkin V. et al.: Oxidation Commun., 2002, 25, 21.