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4193033

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[求助] 结合能求教

41930332022-04-24 15:05:04楼主

如图1和3,均可由反式变顺式异构体2和4。使用高斯算得以ππ作用力建模的结合能。现有几个问题请教:
1. 结合能的差值有意义吗?1-2差值明显比3-4低,可以代表更容易发生吗。
2. 3的结合能比1低,能否代表从4恢复到3比从2恢复到1更容易。

结合能求教


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