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- W1575475016 abstract "In this work we used density functional theory (DFT) B3LYP/6-31G*(d) to study the stoichiometric reaction between the β-himachalene and dibromocarbene. We have shown that β-himachalene behaves as a nucleophile, while dibromocarbene behaves as an electrophile; that the chemical potential of dibromocarbene is superior to that of β-himachalene in absolute terms; and that β-himachalene reacts with an equivalent quantity of dibromocarbene to produce only one products P1: (1S,3R,8S) -2,2- dibromo -3,7,7,10" @default.
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- W1575475016 date "2014-09-12" @default.
- W1575475016 modified "2023-09-27" @default.
- W1575475016 title "Understanding the Regioselectivity and Reactivity of β-Himachalene Using Zeroual Function as a new Regioselectivity Descriptor" @default.
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