Benchmark ab initio characterization of the complex potential energy surfaces of the HOO− + CH3Y [Y = F, Cl, Br, I] reactions
Physical Chemistry Chemical Physics(2024)
摘要
The α-effect is a well-known phenomenon in organic chemistry, which relates to the enhanced reactivity of nucleophiles involving one or more lone-pair electrons adjacent to the nucleophilic center. The gas-phase...
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