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
✦ LIBER ✦
Variation-perturbation treatment of the hydrogen bond between water molecules
✍ Scribed by Jeziorski, Bogumił; van Hemert, Marc
- Book ID
- 111909966
- Publisher
- Taylor and Francis Group
- Year
- 1976
- Tongue
- English
- Weight
- 1005 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0026-8976
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