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Updated: Jul 16, 2025

Author Spotlight: Unlocking New Insights in fNIRS Studies - A Novel Framework for Inter-Brain Synchrony Analysis
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一个准确的密度一致性函数用于混合多配置密度一致性函数理论.

Dayou Zhang1, Donald G Truhlar1

  • 1Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431, United States.

Journal of chemical theory and computation
|September 14, 2023
PubMed
概括

我们开发了混合多配置密度连贯功能理论 (HMC-DCFT) 并优化了其功能. 与现有的计算化学技术相比,这种新方法在预测键能和屏障高度方面表现出卓越的准确性.

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