According to the form of Morse function, we found that the PESs of N-N bond dissociation reaction in large molecule can be obtained by fitting Morse parameters using a polynomial function.

  • 另外,论文用多种方法研究了DMNA和NH2NO2中N-N键断裂反应的势能面,根据Morse函数形式,提出可用于较大分子中N-N键断裂的势能面计算的拟合Morse参数方法。

  • 互联网摘选 2025-01-20 12:43:31

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