1. New optimal strategies for ab-initio quantum chemical calculations on large drugs, carcinogens, teratogens and biomolecules.;Kaufman,1979
2. Computer Assisted Drug Design,1979
3. Ab-initio calculations incorporating desirable options for large molecules and solids: a competitive, completely general alternative to local density methods for many systems;Kaufman,1982
4. Local Density Approximations in Quantum Chemistry and Solid State Physics,1984
5. Ab-initio MODPOT/VRDDO/MERGE Multireference Determinant Configuration Interaction (MRD-CI) Calculations For the N-NO2 Decomposition Pathway of RDX Based On Localized Orbitals;Roszak,1985