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hnthdht至尊木虫 (职业作家)
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[求助]
求助：怎么用crystalexplorer计算氢键abundance
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审稿意见：For compound 1, if the intermolecular interactions are analyzed in detail, it is observed that the N-H...I of type hydrogen bond has an abundance of 62% (crystalexplorer),... in the same way the other intermolecular interactions should be analyzed for each of the compounds. 这里N-H…I型氢键的丰度62%是怎么用crystalexplorer算出来的，有人知道吗？@jackdeng@lich666 |
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oyljw
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2楼2024-11-29 16:18:11