A new computational strategy for ab-initio MRD-CI calculations for breaking a chemical bond in a molecule in a crystal or other solid environment. - Joyce J. Kaufman; Szczepan Roszak; P. C. Hariharan; Phillip B. Keegstra (Comput. Chem., 1989)

The Performance of the Density Functional Theory on Reaction Pathways Requiring the Multideterminantal Description. - Szczepan Roszak; Henryk Chojnacki (Comput. Chem., 1998)

Prediction of Cellular Toxicity of Halocarbons from Computed Chemodescriptors: A Hierarchical QSAR Approach. - Subhash C. Basak; Krishnan Balasubramanian; Brian D. Gute; Denise R. Mills; Anna Gorczynska; Szczepan Roszak (J. Chem. Inf. Comput. Sci., 2003)