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- W3204678561 abstract "4,5-dihydro-1H-pyrazol this series, was synthesizing usage of this reaction. Certain compounds commonly prepared for the cyclization of chalcone with hydrazine derivatives undergoing the alcoholic conditions. Meanwhile the theoretical calculations based on density functional theory (DFT) used to B3LYP level. The molecular geometry in frontier molecular orbital and mulliken charge of this compound were established to give an excellent perception of molecular properties. The molecular electrostatic potential of compound was as certain to inhibit like electrophilic or neuclephilic reactivity. The result get disclose a quality accord linking to the theoretical capitalize." @default.
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- W3204678561 date "2021-01-01" @default.
- W3204678561 modified "2023-09-23" @default.
- W3204678561 title "Synthesis and DFT calculation of novel pyrazole derivatives" @default.
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- W3204678561 doi "https://doi.org/10.1063/5.0063016" @default.
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