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. 2007 Mar 12;17(11):3203–3207. doi: 10.1016/j.bmcl.2007.03.018

Table 2.

Calculated molecular potential density mapsa

Compound 1 2 3 4
Isosteric series graphic file with name fx2.gif graphic file with name fx3.gif graphic file with name fx4.gif graphic file with name fx5.gif



Compound 5 6 7 8

Homologated series graphic file with name fx6.gif graphic file with name fx7.gif graphic file with name fx8.gif graphic file with name fx9.gif
a

Molecular electrostatic potentials were calculated at the B3LYP/6-31G∗∗ level and mapped on 0.002 au isodensity surface and are shown with identical chromatic scales (red is more negative, greater electron density; blue is more positive, less electron density). Spartan’06, Wavefunction, Inc. Irvine, CA.