22. A. Michalak, T. Ziegler, "DFT studies on substituent effects in Pd-catalyzed olefin polymerization", Organometallics, submitted.

21. A. Michalak, T. Ziegler, "Pd-catalyzed Polymerization of Propene - DFT Model Studies", Organometallics, 18 (1999), 3998-4004.

20. A.K. Chandra, A. Michalak, M.T. Nguien, R.F. Nalewajski, "On Regional Matching of Atomic Softnesses in Chemical Reactions: Two-Reactant Charge Sensitivity Study", J. Phys. Chem. A, 102 (1998), 10182-10188.

19. A. Michalak, F. DeProft, P. Geerlings, R.F. Nalewajski, "Fukui Functions from the Relaxed Kohn-Sham Orbitals", J. Phys. Chem. A, 103 (1999), 762-771.

18. K. Hermann, M. Witko, A. Michalak, "Density Functional Studies of the Electronic Structure and Adsorption at Molybdenum Oxide Surfaces", Catalysis Today, 50 (1999) 567-577.

17. R.F. Nalewajski, A. Michalak, "Charge Sensitivity / Bond-Order Analysis of Reactivity Trends in Allyl-[MoO3] Chemisorption Systems: A Comparison between (010)- and (100)-Surfaces", J. Phys. Chem. A, 102 (1998), 636-640.

16. K. Hermann, M. Witko, A. Michalak, "Structure, Binding, and Reactivity at Molybdenum Oxide (MoO3) Surfaces", Proceedings of the Symposium "Advances and Applications of Quantum Chemistry and Molecular Simulations to Heterogenous Catalysis", San Francisco, April 13-17 1997; ACS Preprints, Vol. 42 (1997), 106-109.

15. M. Witko, K. Hermann, R. Tokarz, A. Michalak, "Cluster Studies on Adsorption and Reaction at the V2O5 (010) Surface", Proceedings of the Symposium "Advances and Applications of Quantum Chemistry and Molecular Simulations to Heterogenous Catalysis", San Francisco, April 13-17 1997; ACS Preprints, Vol. 42 (1997), 94-97.

14. R.F. Nalewajski, J. Mrozek, A. Michalak, "Exploring Bonding Patterns of Molecular Systems Using Quantum Mechanical Bond Multiplicities", Polish J. Chem, 72 (1998) 1779-1791.

13. A. Michalak, M. Witko, K. Hermann, "Density Functional Cluster Studies on the (010) Surface of Vanadium Pentoxide", Surf. Sci., 375 (1997), 385-394.

12. R.F. Nalewajski, A. Michalak, "Charge Sensitivity and Bond-Order Analysis of Reactivity Trends in Allyl-[MoO3] Chemisorption Systems: Two-Reactant Approach", J. Phys. Chem., 100 (1996), 20076-20088.

11. A. Michalak, M. Witko, K. Hermann, "Ethylene Adsorption on the Cu(111) Surface: DFT Cluster Studies", J. Mol. Catal. A, 119 (1997), 213-221.

10. K. Hermann, M. Witko, A. Michalak, "Geometry of Acetylene and Ethylene Adsorbates on Cu(111): Theoretical Cluster Studies", Zeitschrift fur Physikalische Chemie, 197 (1996), 219-235.

9. A. Michalak, K. Hermann, M. Witko, "Reactive Oxygen Sites at MoO3 surfaces: ab initio Cluster Model Studies", Surf. Sci., 366 (1996) 323-336.

8. K. Hermann, A. Michalak, M. Witko, "Cluster Model Studies on Oxygen Sites at the (010) Surfaces of V2O5 and MoO3", Catalysis Today, 32 (1996), 321-327.

7. R.F. Nalewajski, J. Mrozek, A. Michalak, "Two-Electron Valence Indices from the Kohn-Sham Orbitals", Int. J. Quant. Chem., 61 (1997), 589 -601.

6. R.F. Nalewajski, J. Korchowiec, A. Michalak, "Reactivity Criteria in Charge Sensitivity Analysis", Topics in Current Chemistry, Vol. 183: Density Functional Theory - Theory of Chemical Reactivity, R.F. Nalewajski Ed. (Springer-Verlag, Heidelberg, 1996), pp. 25-141.

5. J. Mrozek, A Michalak, "Chemical Reactivity Trends of Ergotamine and Butenolide from Electrostatic Potentials and Charge Sensitivities", Int. J. Quant. Chem., 56 (1995), 633-644.

4. R.F. Nalewajski, A. Michalak, "Use of Charge Sensitivity Analysis in Diagnosing Chemisorption Clusters: Minimum Energy Coordinate and Fukui Function Study of Model Toluene - [V2O5] Systems", Int. J. Quant. Chem., 56 (1995), 603-613.

3. R.F. Nalewajski, J. Korchowiec, A. Michalak, "Intermediate Hardness Decoupling Schemes for Chemical Reactivity", Proc. Indian Accad. Sci. (Chem. Sci.), 196 (1994), 353-378.

2. A. Michalak, J. Mrozek, V.H. Smith, D.F. Weaver, "A Molecular Orbital Study of Two Vasconstricting Mycotoxins: Butenolide and Ergotamine", J. Mol. Struct. (Theochem), 305 (1994), 1-7.

1. P. Petelenz, R. Danielak, B. Gorczyca, A. Michalak, "Lifetime of the hypothetical charge transfer state in the phenothiazine crystal", J. Chem. Phys. 98 (1993) 1-3.