ISSN:
1438-2199
Keywords:
Amino acids
;
GABA, H-Bond
;
Intramolecular
;
Structure
;
Ab-initio
Source:
Springer Online Journal Archives 1860-2000
Topics:
Medicine
Notes:
Summary The potential energy surface of the neutral form ofγ-aminobutyric acid was investigated by means of ab-initio 4-31 G SCF calculations. Geometries, energies, and selected wave numbers of all 62 symmetry unique local minima are reported. Intramolecular interactions and all reactions, which involve the intramolecular hydrogen bond, are discussed and compared with those present in the homologuesβ-alanine and glycine.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00806824
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