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Updated: Sep 24, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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FCIQMC-Tailored Distinguishable Cluster Approach: Open-Shell Systems

Eugenio Vitale1, Giovanni Li Manni1, Ali Alavi1,2

  • 1Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart, Germany.

Journal of Chemical Theory and Computation
|May 6, 2022
PubMed

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