COMMA2_O1_charge
MPEOE charge quadrupole moment O1 about property field center
COMMA2_O2_charge
MPEOE charge quadrupole moment O2 about property field center
COMMA2_O3_charge
MPEOE charge quadrupole moment O3 about property field center
COMMA2_Qxx_charge_mc
MPEOE charge quadrupole moment Qxx about molecular centroid
COMMA2_Qyy_charge_mc
MPEOE charge quadrupole moment Qyy about molecular centroid
COMMA2_Qzz_charge_mc
MPEOE charge quadrupole moment Qzz about molecular centroid
COMMA2_Qxx_charge_cm
MPEOE charge quadrupole moment Qxx about center of mass(cm)
WHIM_gWSHA_K_SMR
The shape of the molecule represented by directional WHIM shape SMR descriptors
WHIM_gWSYM_G_SMR
The total symmetry of the molecule represented by directional WHIM symmetry SMR descriptors
WHIM_gWDEN_D_SMR
The total density of the atoms accounted for by directional WHIM density SMR descriptors within a molecule