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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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The CP-PAW Code Package for First-Principles Calculations from a User's Perspective

Peter E Blöchl1,2,3, Robert Schade4, Lukas Allen-Rump1,3

  • 1Institute for Theoretical Physics, Clausthal University of Technology, Clausthal-Zellerfeld 38678, Germany.

The Journal of Physical Chemistry. A
|June 15, 2026
PubMed

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