Stabilization energies of weak hydrogen bonded molecular complexes. Comparison of simple models
- 15 April 1984
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 80 (8) , 3916-3918
- https://doi.org/10.1063/1.447175
Abstract
The stabilization energy ΔE of some weak molecular complexes is calculated via an electrostatic model based on the use of experimental atomic charges derived from infrared intensities. The results compare favorably with observed values. The comparison with the results of another model recently proposed by Flygare and based on the use of data completely independent from infrared intensities, is also discussed.Keywords
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