x -吡嗪⋯(HF)配合物中的N⋯HF相互作用:取代基效应和能量组分

A. Ebrahimi, M. Habibi-Khorassani, F. B. Akher, Abdolkarim Farrokhzadeh
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引用次数: 2

摘要

取代基对X-吡嗪⋯(HF)𝑛(X = N(CH3)2、NHCH3、NH2、C2H5、CH3、OCH3、OH、CN、of、NO2、F、Br、Cl和𝑛=1,2)配合物中N⋯HF相互作用的影响已在B3LYP/6-311上进行了研究
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The N⋯HF Interactions in the X-Pyridazine⋯ (HF) Complexes: Substituent Effects and Energy Components
The effects of substituents on the N⋯HF interactions in the X-pyridazine⋯(HF)𝑛 (X = N(CH3)2, NHCH3, NH2, C2H5, CH3, OCH3, OH, CN, OF, NO2, F, Br, Cl, and 𝑛=1,2) complexes have been studied at the B3LYP/6-311
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