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Molecular orbital studies on the conformation of hallucinogenic indolealkylamines and related compounds. Isolated molecules and the solvent effect

✍ Scribed by Pullman, B.; Courriere, Ph.; Berthod, H.


Book ID
127375437
Publisher
American Chemical Society
Year
1974
Tongue
English
Weight
999 KB
Volume
17
Category
Article
ISSN
0022-2623

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Studies of the solvent effect on the mol
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The static and frequency-dependent first hyperpolarisabilities ( p ) of three phenoxidepyridinium derivatives and Reichardt's betaine (ET30) have been computed in the gas phase and in aqueous solvent. The sum-over-states formalism is used to calculate individual components of the ptensors. The solve