The Dual Descriptor Reveals the Janus–Faced Behaviour of Diiodine
The Janus–faced ligand behavior of diiodine (I2) was evidenced after applying the dual descriptor (DD or second-order Fukui function), thus providing additional support to the work performed by Rogachev and Hoffmann in 2013. Along with its capacity to reveal sites susceptible to undergo attacks simu...
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2022
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| Online Access: | View Fulltext in Publisher |