Projects per year
Abstract
Results of ab initio SCF (43lG) studies of the potential energy surfaces of 3-amino-
propanol and 3-aminopropanal are reported. Geometry data of all local minima are given and various intramolecular interactions are deduced from these data. All reaction paths in the potential energy surface of 3aminopropanal and selected reaction paths in the potential energy surface of 3aminopropanol are discussed.
propanol and 3-aminopropanal are reported. Geometry data of all local minima are given and various intramolecular interactions are deduced from these data. All reaction paths in the potential energy surface of 3aminopropanal and selected reaction paths in the potential energy surface of 3aminopropanol are discussed.
| Original language | English |
|---|---|
| Pages (from-to) | 35-59 |
| Journal | Journal of Molecular Structure : Theochem |
| Volume | 276 |
| Publication status | Published - 1992 |
Fields of Expertise
- Sonstiges
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Dive into the research topics of 'Ab initio SCF investigation of 3-aminopropanol and 3-aminopropanal'. Together they form a unique fingerprint.Projects
- 1 Finished
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Quantum Chemistry: Intramolecular Hydrogen Bonds
Kelterer, A., Ramek, M. & Flock, M.
1/01/95 → 31/12/98
Project: Research project