Computational Strategies for Entropy Modeling in Chemical Processes

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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Wook Shin1, Zhongyue J Yang1,2,3,4,5

  • 1Department of Chemistry, Vanderbilt University, Nashville, Tennessee, 37235, United States.

Chemistry, an Asian Journal
|March 7, 2023
PubMed

Keywords:
Entropy calculationentropy calculationmolecular modelingreaction mechanism

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