11.
Ferreira M. M. C., “Ab-initio Atomic Charges from Atomic Polar Tensors”. J. Mol. Struct., 266, 223-228 (Mar 1992).
[Special issue Molecular Spectroscopy and Molecular Structure 1991, Part I: Proceedings of the XXth European Congress on Molecular Spectroscopy (EUCMOS XX), should have been held in Zagreb, Croatia on 25-30 August 1991, but was cancelled because of the war in Croatia. See Notes.]
[Article.]

Abstract.
The dipole moment derivatives with respect to the cartesian coordinates are explained in terms of charge and charge flux tensors, which are
calculated for the hydrogen and fluorine atoms for a series of molecules. The 4-31G basis set is used in these calculations. An atomic charge is
derived from the charge tensor which is within a narrower range of values than Mulliken's net atomic charge and in excellent agreement with the
Mulliken's corrected charge for the H₂O and CH₃OH molecules.

Keywords.

Keywords Plus.
Dipole Moment Derivatives; Infrared Intensities.