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Updated: Jul 6, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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在分子描述的光下,沸点,临界温度和结温度:相关性和因果关系

Ossama Abdeen1, Mohamed Ismael1, Aly Abdou1

  • 1Chemistry Department, Faculty of Science, Sohag University, Sohag, 82524, Egypt. m_ismael@science.sohag.edu.eg.

Physical chemistry chemical physics : PCCP
|January 3, 2024
PubMed
概括

流体的物理化学性质受到分子相互作用的影响. 平均局部电离能 (ALIE) 和电子定位函数 (ELF) 是沸点和点的关键预测指标,为分子层面提供了新的见解.

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