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Updated: Jan 6, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

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如何改变分子内质子转移的部分变化和特征在8-基诺林? 一个详细的计算研究

Niranjan Biswas1, Analabha Roy1, Abhijit Chakraborty2

  • 1Department of Physics, The University of Burdwan, Golapbag Campus, Burdwan, 713104, West Bengal, India.

Journal of molecular modeling
|October 14, 2025
PubMed
概括

在8-基因及其衍生物中的分子内质子转移 (IPT) 被计算研究. 激发降低了IPT屏障,使激发状态的分子内质子转移 (ESIPT) 通过基托形式.

关键词:
5,6-二基诺林-8-尔的使用.在一开始就开始了.在ESIPT的基础上,ESIPT是.在这里,HOMOLUMOO.硬度 硬度 硬度 硬度

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