Hydrogen bonding between the anions and water
β Scribed by Zbigniew Kecki
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- English
- Weight
- 503 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0022-2860
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The hydrogen bond N...H-0 between the water and ammonia molecules has been investigated ab initio using the SCF LCAO MO method. The minimal and extended basis sets of Slater type o:bitak were used. it was found that the energy of the hydrogen bond is equal to 6.44 kcal/mole and the equilibrium separ
## Abstract The interplay between two important noncovalent interactions involving aromatic rings is studied by means of high level __ab initio__ calculations. They demonstrate that synergistic effects are present in complexes where anionβΟ and hydrogen bonding interactions coexist. These synergist