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Updated: Jun 18, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Published on: April 8, 2020

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在密度函数理论中引入一个新的相关函数

Esmaeil Rahmatpour1, Asghar Esmaeili2

  • 1Department of Physics, Urmia University, Urmia, Iran.

Scientific reports
|July 31, 2024
PubMed
概括

这项研究引入了一种新的密度函数理论相关函数,使用电离能依赖得到的. 它提高了计算分子性质的准确性,例如62个分子的总能量和键能.

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