Quantum chemical conformational analysis
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Michael Ramek; Sanja TomiΔ
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Article
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1999
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John Wiley and Sons
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English
β 169 KB
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The potential energy surface of 4-methyl-3-indole acetic acid IAA was investigated via RHFr6-31G\* calculations. Five symmetry-unique local minima with syn-periplanar orientation of the COOH group are present. In contrast, unsubstituted IAA and 4-Cl-IAA have only four such minima. The shape of the e