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Updated: Jun 7, 2025

Coulomb Explosion Imaging as a Tool to Distinguish Between Stereoisomers
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什么是交换排斥能量? 通过将其分为物理上有意义的贡献来进行洞察

Johannes Henrichsmeyer1, Michael Thelen1, Reinhold F Fink1

  • 1Institute of Physical and Theoretical Chemistry, Auf der Morgenstelle 18, University of Tübingen, D-72076, Tübingen, Germany.

Chemphyschem : a European journal of chemical physics and physical chemistry
|November 21, 2024
PubMed
概括

研究人员开发了一种新方法,使用哈特里-福克轨道来分割交换排斥能量 (Exr). 这种方法为分子相互作用和电子结构提供了更直观的理解,这对计算化学至关重要.

关键词:
聚合 聚合 是一种聚合.交换能量 交换能量非共价相互作用 非共价相互作用保利的排斥力是一种排斥力.量子化学 是一个量子化学.

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