38
2 Actual Potentials of Theoretical Chemistry: What Can Be Obtained
-5.995 10 -2 e -2
5.995 10 -2 e -2
(d)
(c)
-2.748 10 -2 e -2
2.748 10 -2 e -2
(b)
-5.364 10 -2 e -2
5.364 10 -2 e -2
(a)
-2.574 10 -2 e -2
2.574 10 -2 e -2
Fig. 2.33 Electrostatic potentials of a benzene, b water, c hydrogen sulfide, and d glycine with
their transparent figures (each right) obtained by DFT/B3LYP/6-31G**
2 Actual Potentials of Theoretical Chemistry: What Can Be Obtained
-5.995 10 -2 e -2
5.995 10 -2 e -2
(d)
(c)
-2.748 10 -2 e -2
2.748 10 -2 e -2
(b)
-5.364 10 -2 e -2
5.364 10 -2 e -2
(a)
-2.574 10 -2 e -2
2.574 10 -2 e -2
Fig. 2.33 Electrostatic potentials of a benzene, b water, c hydrogen sulfide, and d glycine with
their transparent figures (each right) obtained by DFT/B3LYP/6-31G**