The structures of the derivatives of 1,2,3,4-tetrahydroquiazoline ( THQ) are optimized at the HF/ 6-31G ( d) level. Vibrational frequency analysis is performed at the same level to ensure that the optimized geometry is stable.

  • 用HF/6-31G(d)方法优化了1,2,3,4-四氢喹唑啉(THQ)衍生物的结构,并进行了频率分析以保证优化的结构是稳定的。

  • 互联网摘选 2025-01-20 17:35:39

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