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Modeling of the Response of Hydrogen Bond Properties on an External Electric Field: Geometry, NMR Chemical Shift,

Ilya G Shenderovich1,2, Gleb S Denisov2

  • 1Institute of Organic Chemistry, University of Regensburg, Universitaetstrasse 31, 93053 Regensburg, Germany.

Molecules (Basel, Switzerland)
|August 27, 2021
PubMed

Keywords:
DFTGIAONMRcyanidedissociationhydrogen bondingnon-covalent interactionsscalar coupling

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