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Kompleksones-poliaminopolikarbonic acids: quantochemical and statistical research of the isolated moleculas and their series

Sikachina A. A.  (the post-graduate student; FGAOU VPO "BALTIC FEDERAL UNIVERSITY OF THE NAME I. KANT")

In resulted article are shown and interpreted quantochemical descriptors of electronic frame and the correlation coefficients of Pirson generated with their participation for class moleculas aminopolycarbonic acids

Keywords:an inhibiting effect, quantochemical descriptors, GAUSSIAN-09, hydrosulphuric corrosion, sulfatreductional bacteria, STATISTICA 7, DFT/B3-LYP (not empirical), the semiempirical methods, the optimised moleculas
 

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Citation link:
Sikachina A. A. Kompleksones-poliaminopolikarbonic acids: quantochemical and statistical research of the isolated moleculas and their series // Современная наука: актуальные проблемы теории и практики. Серия: Естественные и Технические Науки. -2015. -№01-02. -С. 60-66
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