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Updated: Oct 6, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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New efficient (aug-)pecS-n (n = 1, 2) basis sets for 19F NMR chemical shift quantum chemical calculations within the

Yuriy Yu Rusakov1, Irina L Rusakova1

  • 1A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Favorsky St. 1, 664033 Irkutsk, Russia. i-rusakova@bk.ru.

Physical Chemistry Chemical Physics : PCCP
|October 5, 2026
PubMed

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