|
qpmax |
maximum positive charge |
|
qnmax |
maximum negative charge |
|
Qpos |
total positive charge |
|
Qneg |
total negative charge |
|
Qtot |
total absolute charge (electronic charge index - ECI) |
|
Qmean |
mean absolute charge (charge polarization) |
|
Q2 |
total squared charge |
|
RPCG |
relative positive charge |
|
RNCG |
relative negative charge |
|
SPP |
submolecular polarity parameter |
|
TE1 |
topological electronic descriptor |
|
TE2 |
topological electronic descriptor (bond resctricted) |
|
PCWTe |
partial charge weighted topological electronic descriptor |
|
LDI |
local dipole index |