Citation: Hua Liang JIANG, Quan LI, Kai Xian CHEN, Yun TANG, Xu SHEN, Ru Yun JI, Yu Yuan XIE. MOLECULAR MECHANICAL AND QUANTUM CHEMICAL CALCULATION ON ACYLATION REACTIVITY FOR 1-(NITRO SUBSTITUTED ANILINO)-4-SUBSTITUTED-2, 6-PIPERAZINEDIONES[J]. Chinese Chemical Letters, ;1995, 6(8): 691-694.
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Molecular mechanical and quantum chemical methods were used to calculate the conformational and electronic structures of the template molecules of (nitro substituted anilino)-4-substituted-2, 6-piperazinediones.With the calculation results we explained the acylation reactivity of title compounds satisfactorily.
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