Deuteron quadrupole coupling constants in crystals with symmetrical hydrogen bonds
- 1 January 1971
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 21 (3), 461-463
- https://doi.org/10.1080/00268977100101631
Abstract
Deuteron quadrupole coupling constants for the free formic and trifluoroacetic acid molecules, for their acid anions and for the maleate anion were calculated using the INDO method. The results are compared with experimental values for potassium deuterium maleate and bistrifluoroacetate.Keywords
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