Ab initio SCF investigation of the intramolecular hydrogen bonding in δ-aminopentanoic acid
✍ Scribed by Michael Ramek
- Book ID
- 105519232
- Publisher
- Springer
- Year
- 1995
- Tongue
- English
- Weight
- 480 KB
- Volume
- 6
- Category
- Article
- ISSN
- 1040-0400
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📜 SIMILAR VOLUMES
A double zeta quality SCF-MO calculation is reported for the C6H6...HF complex. The hydrogen bond distance and strength are reported together with various one-electron properties. Changes in electron distribution on complex formation are discussed. The likely accuracy of the results is inferred f
Ab initio SCF LCAO hi0 calculations for the [ HzO.. Cl]complex have been performed. The energy of the linear hydrogen bond has been found to be.lower than the energy of the bifurcated one. The difference of the energies is about 3 kcai/mole. The calculated equilibrium distance between the oxygen and