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
Hydrogen bonds in the cimetidine molecule
β Scribed by Willie A Bueno; Eduardo G Sobrinho
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 370 KB
- Volume
- 51
- Category
- Article
- ISSN
- 1386-1425
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Subject classification: 64.70.Kb; 65.40.-b; S12 The calorimetric parameters including the heat capacity, thermal conductivity and thermal diffusivity are measured and/or determined as a function of temperature (310 K < T < 400 K) for two hydrogen-bonded molecules, namely anthralinic acid C 6 H 4 CO