A comparative density functional theory and molecular dynamics simulation studies of the corrosion inhibitory action of two novel N-heterocyclic organic compounds along with a few others over steel surface

Published 2016 View Full Article

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Title
A comparative density functional theory and molecular dynamics simulation studies of the corrosion inhibitory action of two novel N-heterocyclic organic compounds along with a few others over steel surface
Authors
Keywords
Steel, Pyrazine derivatives, DFT calculations, MD simulation
Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume 215, Issue -, Pages 486-495
Publisher
Elsevier BV
Online
2016-01-27
DOI
10.1016/j.molliq.2016.01.024

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