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Updated: Jul 18, 2025

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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对激发状态内分子双质子转移行为的计算洞察力与Bis(2'-硫) 氨酸的原子电子负性相关

Jinfeng Zhao1, Chang Liu1

  • 1College of Physical Science and Technology, Shenyang Normal University, Shenyang 110034, China.

Molecules (Basel, Switzerland)
|August 26, 2023
PubMed
概括

这项研究探讨了新型 bis2'-硫) 基 (BBTHQ) 光体,揭示了较低的原子负电子度增强了结,并影响了兴奋状态质子转移 (ESPT) 机制.

关键词:
原子的电子负性是原子的电子负性.收费重组,收费重组,重新组织激发状态 双质子转移 激发状态 双质子转移激发状态的键 激发状态的键潜在的表面能量 表面能量

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