Category Archives: Molecular Descriptors

The index related the mass distribution of bonded atom pairs in a molecule

The 1st diagonal element of inertia tensor matrix with respect to axes which go through the center of gravity of mass in a molecule (I_A)

3D Wiener index

The 2nd diagonal element of inertia tensor matrix with respect to axes which go through the center of gravity of mass in a molecule (I_B)

3D Harary index

The 3rd diagonal element of inertia tensor matrix with respect to axes which go through the center of gravity of mass in a molecule (I_C)