...对苯甲酰环己二酮化合物酸度的影响,我们进一步用几种表征电性的量化参数氧原子及氢原子所带的电荷、前线最高占据轨道能量(Ehomo)作为结构描述子对pKa进行预测,结果这些参数与pKa之间均表现出良好的相关。
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这个电子应该是从,最高的被占据轨道上出来的，它的能级是最高的，因为这样的话发射出它,只需要消耗最少的能量。
The electron's going to come out of that highest occupied atomic orbital, that one that's the highest in energy, because that's going to be the at least amount of energy it needs to eject something.
从最高占据轨道上，去掉一个电子是合理的，因为这样是发射一个电子，所损失的最低能量。
It makes sense that it's going to come out of the highest occupied atomic orbital, because that's going to be the lowest amount of energy that's required to actually eject an electron.
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