Research Article

Understanding the Mechanism and Selectivities of the Reaction of Meta-Chloroperbenzoic Acid and Dibromocarbene with β-Himachalene: A DFT Study

Table 2

Local reactivity properties of reagents calculated using the DFT method for NPA-derived charges.


C20.00450.03180.05931.42911.42910.0242
C30.00430.08260.10760.69730.00330.0629
C60.02010.20220.29762.23630.01530.1539
C70.03400.22140.30243.04260.02590.1686