Skip to main content
. 2013 Sep 13;4(11):1085–1090. doi: 10.1021/ml400269v

Table 2. Polarizability α (in Bohr3) and Local Hardness η(r) (in kcal/mol) in the x and y Position of the Alkyne and Alkane and in the P and T Shape Position of Benzene (Figure S1, Supporting Information).

graphic file with name ml-2013-00269v_0003.jpg

a

nd: not determined. nf: not fitted.