DFT computations and molecular dynamics investigations on conformers of some pyrazinamide derivatives as corrosion inhibitors for aluminum

Title
DFT computations and molecular dynamics investigations on conformers of some pyrazinamide derivatives as corrosion inhibitors for aluminum
Authors
Keywords
-
Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume 300, Issue -, Pages 112309
Publisher
Elsevier BV
Online
2019-12-14
DOI
10.1016/j.molliq.2019.112309

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