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CI calculations concerning the styrene cis-trans photoisomerization

✍ Scribed by Ignacio Nebot-Gil; Jean-Paul Malrieu

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
323 KB
Volume
84
Category
Article
ISSN
0009-2614

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✦ Synopsis

Usmg nummal baus sets, the ~omc and dua&cal evmted states of the twisted styrcnc n~olccule have been calculated through extended Cl, after appropriate XT procedures The lowest ekclted state IS a duadlcal, and the photolsomerlzatlon should not involve the ,OIUC state.

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## Abstract The reversible __cis__/__trans__ photoisomerization of secondary thiopeptide bonds has been systematically studied with UV‐visible absorption, capillary electrophoresis, ^1^H NMR spectroscopy, and circular dichroism methods. It was found that the concentration of the __cis__ conformers