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Theory and application of photoelectron spectroscopy. Part 91. Conformational study of 1,2-dimethylhexahydropyridazine by variable-temperature photoelectron spectroscopy

โœ Scribed by Schweig, Armin; Thon, Nikolaus; Nelsen, Stephen F.; Grezzo, Loretta A.


Book ID
125972611
Publisher
American Chemical Society
Year
1980
Tongue
English
Weight
470 KB
Volume
102
Category
Article
ISSN
0002-7863

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A numerical experiment which simulates the temperature dependence of the PE spectrum of thioanisole, i.e. a molecule with restricted internal rotation, shows that an analysis in terms of an assumed equilibrium between two "frozen" conformers can lead to substantial systematic errors in their energy