Browsing Research Output by Subject "Pyridine-pyrazole"
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DFT–based QSAR Study of Substituted Pyridine–Pyrazole Derivatives as Corrosion inhibitors in Molar Hydrochloric Acid
(ESG, 2014)Quantum chemical calculations, based on DFT methods at B3LYP/6-31G** level of theory, were performed, by means of the G03 set of programs, on four pyridine-pyrazole compounds. The objective of this work was ...