THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by Chin-Yah Yeh, Illinois Institute of Technology, Chicago, Illinois 60616

This is a direct conversion of QCPE 227.

This program computes the charge distribution of organic molecules due to non-conjugated bonds, i.e., excluding pi orbital charge distribution. The current program is limited to a molecule of 99 atoms.

Areas of applicability include:

1. One-electron theory of rotational strength

2. Dipole moment and quadrupole moment estimates

3. Prediction of point of attack for electro(nucleo)philic reactions

4. Dispersion forces, conformation energy of polymers, etc.

Lines of Code: 92 FORTRAN 77