Mass quadrupole moment Qyy about center of polarizability(cp)
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)
2nd eigenvalue of the covariance matrix weighted by SMR of the molecule atomic coordinates, which account for the molecular size
The total dimension of a molecule represented by directional WHIM size SMR descriptors
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