Hydrogen bonding in simple π‐electron systems I. Pyridinium–pyridine
- 1 January 1968
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 2 (1) , 23-30
- https://doi.org/10.1002/qua.560020103
Abstract
In this work, the application of the Pariser–Parr–Pople scheme to hydrogen‐bonded systems containing π electrons has been examined. The potential energy curves for the movement of the hydrogen atom in the bond have been calculated, and the reliability of the results obtained from this method, applied in this manner, have been discussed.Keywords
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