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Dissociation energies of molecules with very heavy atoms from mass spectrometry

机译:质谱法中具有极重原子的分子的解离能

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摘要

For Pb2and BiLi, it is shown that relativistic effects yield large spin‐orbit splittings and thus reduce the electronic partition function by significant amount. Since the partition function is required for dissociation energy calculations from mass spectrometric data, caution is advised in choosing the electronic partition function.
机译:对于Pb2和BiLi,相对论效应产生了较大的自旋&连字符轨道分裂,从而大大降低了电子分配函数。由于根据质谱数据计算解离能量需要分配函数,因此建议在选择电子分配功能时谨慎使用。

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