1. Ab-initio MODPOT/VRDDO MERGE calculations and electrostatic molecular potential maps: A. Large carcinogens, drugs and biomolecules, B. mechanism of polymerization initiation. An invited paper presented at the Symposium on Theory of Complex Systems of Chemical and Biological Interest, 7th Canadian Symposium on Theoretical Chemistry, Banff, Alberta, Canada, June 1980.
2. Ab-initioMRD-CI calculations on a C?NO2 decomposition pathway of nitrobenzene
3. Ab-initio electrostatic molecular potential contour maps for initiation step and Ab-Initio MRD-CI calculations for propagation step of cationic polymerization of oxetanes
4. Ab-inition MRD-CI calculations for breaking a chemical bond in a molecule in a crystal. Paper presented at the ONR Workshop on Dynamic Deformation, Fracture and Transient Combustion of Energetic Compounds, Greak Oak, Maryland, May 1987.