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Updated: Jun 29, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity

Guillaume Hoffmann1, Frédéric Guégan2, Vanessa Labet3

  • 1Université de Lyon, Institut des Sciences Analytiques, UMR 5280, CNRS, Villeurbanne, France.

Journal of Computational Chemistry
|April 5, 2024
PubMed

Keywords:
conceptual DFT

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