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The quantum chemical interpretation for the cation-cation interactions

✍ Scribed by G.V. Ionava; V.G. Pershina; V.I. Spitsyn

Book ID
104139301
Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
367 KB
Volume
94
Category
Article
ISSN
0020-1693

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## Abstract We performed __ab initio__ pseudopotential and CNDO calculations on γ‐aminobutyric acid (GABA) and its Ca^2+^ and Mg^2+^ clathrates. We were particularly interested in the rotational barrier existing between two extreme conformers of GABA and its modification upon metal complexing. We f