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Comparative study of hexacyanocobaltate(3-) and pentacyanohydroxocobaltate(3-). Ab initio analysis of ligand substitution effects

✍ Scribed by Vanquickenborne, L. G.; Hendrickx, M.; Hyla-Kryspin, I.; Haspeslagh, L.


Book ID
127032057
Publisher
American Chemical Society
Year
1986
Tongue
English
Weight
880 KB
Volume
25
Category
Article
ISSN
0020-1669

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Comparative ab initio SCF conformational
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An ab initio conformational analysis of 4-chloroindole-3-acetic acid was performed at the RHF/6-311G \* \* level. The mirror symmetrical conformer (in which the indole ring is coplanar with the COOH group) is most stable; next in energy are the two conformers with the C-COOH fragment perpendicular t