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DEPENDENCE “STRUCTURE-ANTICORROSION PROPERTIES” ISOQUINOLINE DERIVATIVES IN MICROBIOLOGICAL CORROSION OF COPPER
Sikachina Andrey Anatolievich
Immanuel Kant Baltic Federal University, Kaliningrad
post-graduate student
Immanuel Kant Baltic Federal University, Kaliningrad
post-graduate student
Abstract
As part of the produced studies have been received and analyzed the correlation coefficients - depending on the type of "structure-property" between the protective anti-corrosion effect of organic compounds - derivatives of isoquinoline - and following descriptors, computed by computational methods Ab Initio: Levdin s charges on heteroatoms, the energies of the highest occupied and lowest unoccupied orbitals.
Keywords: Ab Initio, copper, correlation coefficients, isoquinoline derivatives, microbial corrosion, WinGAMESS
Category: 02.00.00 Chemistry
Article reference:
Dependence “structure-anticorrosion properties” isoquinoline derivatives in microbiological corrosion of copper // Modern scientific researches and innovations. 2015. № 11 [Electronic journal]. URL: https://web.snauka.ru/en/issues/2015/11/59189
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