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Updated: Jul 27, 2025

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量化C-HO分子间相互作用的内在强度

Jiří Czernek1, Jiří Brus1, Vladimíra Czerneková2

  • 1Institute of Macromolecular Chemistry, Czech Academy of Sciences, Heyrovsky Square 2, 162 00 Prague, Czech Republic.

Molecules (Basel, Switzerland)
|June 10, 2023
PubMed
概括

测量C-HO键强度用酸二次体进行量化. 计算显示其内在强度约为O-HO键的四分之一,为分子间相互作用提供了洞察力.

关键词:
中央证券交易所 (CCSD)在 DFT 方面,它是最重要的.这是SAPT SAPT.通过联结,形成联结.非共价相互作用的非共价相互作用.

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