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• W4317583722 abstract "Abstract Theoretical evidence concerning the multiradicaloid character in benzene photochemistry is reported based on a topological analysis of the correlated electron localization function. The bonding implications of triradicaloid conditions in both ground and excited states of S 1 benzene are discussed within the bonding evolution theory. Our results suggest that triradicaloid/biradicaloid structures form due to the non‐bonding density concentration over C atoms, causing the distorted geometry near the S 1 /S 0 crossing. Biradicaloid centers formed in the excited state trigger new CC bonds, leading to a variety of photoproducts." @default.
• W4317583722 created "2023-01-21" @default.
• W4317583722 creator A5000420950 @default.
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• W4317583722 date "2023-01-20" @default.
• W4317583722 modified "2023-10-12" @default.
• W4317583722 title "Uncovering Triradicaloid Structures in S₁ Benzene Photochemistry**" @default.
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• W4317583722 doi "https://doi.org/10.1002/cptc.202200263" @default.
• W4317583722 hasPublicationYear "2023" @default.
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