Browsing by Author "6dfad816-e48e-4df6-8226-02138abd3053"
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DFT–based QSAR Study of Substituted Pyridine–Pyrazole Derivatives as Corrosion inhibitors in Molar Hydrochloric Acid
El Adnani, Z.; Benjelloun, A.T.; Benzakour, M.; Mcharfi, M.; Sfaira, M.; Saffaj, T.; Ebn Touhami, M.; Hammouti, B.; Al-Deyab, S.S.; Ebenso, Eno Effiong (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 ...