Figure 1:
Comparison of CQ cores, without and with the attached reversal agent (making
RCQ_02; see below). The CQ portion of each molecule
ranges from an electrostatic potential of 0(green) to –0.2(red), mapped
on density = 0.002 electronic surface. Much of the remainder has positive
electrostatic potentials in blue. The electrostatic densities and
potentials of the CQ portions of these molecules are nearly identical.