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Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
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Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Published on: February 15, 2016

A Cautionary Tale: Failure of the Valence CASSCF to Describe the Hallmark of Hydrogen Bonding

Long H Nguyen1, Thom H Dunning1,2, Sotiris S Xantheas1,2,3

  • 1Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.

Journal of Chemical Theory and Computation
|June 25, 2026
PubMed

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