. 2018 Sep 28;23(10):2487. doi: 10.3390/molecules23102487

Table 2.

The projections of electric fields on points M1 and M2, respectively, along unit vectors ${\vec{e}}_{1}$ and ${\vec{e}}_{2}$ (in $10^{- 4}$ a.u. where 1 a.u. = 51.42 V/Å) for the Diels–Alder reactions between cyclopentadiene and acrylonitrile (ACR), 1-4-naphthoquinone (NAP).

Dienophile	Method	Locations	Projection of E-Field
ACR	B3LYP/MM	M1	−14.6 ± 0.3
ACR	B3LYP/MM	M2	−19.7 ± 0.4
NAP	B3LYP−D3/MM	M1	−28.0 ± 0.5
NAP	B3LYP−D3/MM	M2	−36.2 ± 0.7