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Updated: Jan 18, 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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统治他们所有的人:一个通用的原子间潜力 跨量子化学水平的学习

Yuxinxin Chen1,2, Pavlo O Dral1,3,2

  • 1State Key Laboratory of Physical Chemistry of Solid Surfaces, Department of Chemistry, College of Chemistry and Chemical Engineering, and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen University, Xiamen 361005, China.

Journal of chemical theory and computation
|September 12, 2025
PubMed
概括

我们开发了OMNI-P1,一种通用的原子间潜能,可以在多个量子化学 (QC) 层面上学习. 与传统方法相比,这种方法为有机分子提供了更快,更准确的预测.

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