The semi-empirical PCILO (Perturbative Configuration Interaction using Localized Orbitals) method has been used to study intermolecular hydrogen bonding and proton transfer in the acetic acid -imidazole system. The effect of specific hydration on the proton potential functions was investigated (with
A theoretical(PCILO) study of hydrogen bonding in carboxylic acids and their adducts with pyridine
β Scribed by M. Remko
- Publisher
- Elsevier Science
- Year
- 1979
- Weight
- 587 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0378-4487
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