Estimation on the Individual Hydrogen-Bond Strength in Molecules with Multiple Hydrogen Bonds
β Scribed by Dong, Hao; Hua, Weijie; Li, Shuhua
- Book ID
- 126317439
- Publisher
- American Chemical Society
- Year
- 2007
- Tongue
- English
- Weight
- 156 KB
- Volume
- 111
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
The chemical bond in the hydrogen molecule is examined using the electron density and the generalized overlap amplitudes. Logarithmic derivatives of the electron density provide a clear picture of its behavior in the bonding region as well as in the outer region. The GOA expansion of the density is
## Abstract The results of evaluating the individual hydrogen bond (Hβbond) strength are expected to be helpful for the rational design of new strategies for molecular recognition or supramolecular assemblies. Unfortunately, there is few obvious and unambiguous means of evaluating the energy of a s