Mass quadrupole moment Qyy about molecular centroid
Mass quadrupole moment Qzz about molecular centroid
Mass quadrupole moment Qxx about center of mass(cm)
Mass quadrupole moment Qyy about center of mass(cm)
Mass quadrupole moment Qzz about center of mass(cm)
Mass quadrupole moment Qxx about center of charge(cc)
3rd eigenvalue of the covariance matrix weighted by SMR of the molecule atomic coordinates, which account for the molecular size
eigenvalue ratio of 1st direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by SMR
eigenvalue ratio of 2nd direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by SMR
eigenvalue ratio of 3rd direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by SMR