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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Geometry optimizations with spinor-based relativistic coupled-cluster theory

Xuechen Zheng1, Chaoqun Zhang1, Junzi Liu1

  • 1Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218, USA.

The Journal of Chemical Physics
|April 23, 2022
PubMed

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