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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Perturbative calculation of spin-orbit splittings using the equation-of-motion ionization-potential coupled-cluster

Kerstin Klein1, Jürgen Gauss

  • 1Institut fur Physikalische Chemie, Universitat Mainz, D-55099 Mainz, Germany. kerstin.klein@uni-mainz.de

The Journal of Chemical Physics
|November 26, 2008
PubMed

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