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• W322014269 abstract "Abstract The conical intersections (CIXs) for the cis – trans photoisomerization of simple ethylenoids, such as ethylene, styrene and stilbene, have been calculated by complete active space self-consistent-field method. This is because we check if a simple relationship which is found in the case of fluorene-based ethylenoids is also true for simple ethylenoids. Thereby, the four CIXs, which are distinguished by the directions of wagging and rocking motions of the anionic part against the ethylenic bond, are found to be related with the torsional direction of the ethylenic bond after electronic relaxation at each CIX." @default.
• W322014269 created "2016-06-24" @default.
• W322014269 creator A5024015797 @default.
• W322014269 date "2015-07-01" @default.
• W322014269 modified "2023-09-24" @default.
• W322014269 title "Theoretical study on the torsional direction of simple ethylenoids after electronic relaxation at the conical intersection in the cis–trans photoisomerization" @default.
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• W322014269 doi "https://doi.org/10.1016/j.cplett.2015.04.060" @default.
• W322014269 hasPublicationYear "2015" @default.
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