Table 7.

Mulliken charges on carbon atoms adjacent to site of OH attachment in OH adduct molecules.

OH adduct	Adjacent site with least partial charge, followed by Mulliken charge	Adjacent site with greatest partial positive charge, followed by Mulliken charge
SPEEK1OH1	C6: −0.295895	C2: +0.311261
SPEEK1OH2	C1: +0.213092	C3: +0.229474
SPEEK1OH3	C2: −0.164503	C4: +0.078565
SPEEK1OH4	C3: −0.207607	C5: +0.011635
SPEEK1OH5	C6: −0.523895	C4: +0.008081
SPEEK1OH6	C1: −0.249535	C5: −0.241307
BZ-OH	C2: −0.101056	C6: −0.101056