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- K. Pachucki, J. Komasa
Radiative correction to the helium dimer interaction energy.J. Chem. Phys. 2006 124, 064308-
- M. Torchała, J. Komasa
Funkcje jawnie skorelowane w obliczeniach wysokiej precyzji dla atomu helu.
in: Oblicza chemii, Uniwersytet im. Adama Mickiewicza, Poznan 2006
- V. Patroniak, A. R. Stefankiewicz, J.-M. Lehn, M. Kubicki, M. Hoffmann
Self-Assembly and Characterization of Homo- and Heterodinuclear Complexes of Zinc(II) and Lanthanide(III) Ions with a Tridentate Schiff-Base Ligand. European J. Inorg. Chem 2006, 144-149.
- T. Grabarkiewicz, M. Hoffmann
Syn and anti conformations of 5.-deoxy- and 5.-O-methyl- uridine 2., 3.-cyclic monophosphate. J. Mol. Mod. 2006, 2, 205-212
- K. Pachucki, W. Cencek, J. Komasa
On the acceleration of the convergence of singular operators in Gaussian basis sets.
J. Chem. Phys. 2005 122, 184101-
- W. Cencek, J. Komasa, K. Pachucki, K. Szalewicz
Relativistic correction to the helium dimer interaction energy.Phys. Rev. Lett. 2005 95, 233004-
- E. Sikorska, I. Khmelinskii, M. Hoffmann, I. F. Machado, L. F. V. Ferreira, K. Dobek, J. Karolczak, A. Krawczyk, M. Insinska-Rak, M. Sikorski
Ground- and Excited-State Double Proton Transfer in Lumichrome/Acetic Acid System: Theoretical and Experimental Approach. J. Phys. Chem. A 2005, 109, 11707-11714.
- M. Hoffmann, M. Chrzanowska, T. Hermann, J. Rychlewski
Modeling of Purine Derivatives Transport across Cell Membranes Based on Their Partition Coefficient Determination and Quantum Chemical Calculations. J. Med. Chem. 2005, 48, 4482-4486.
- M. Hoffmann, U. Rychlewska, B. Warzajtis
The Role of Multiple Parallel and Antiparallel Local Dipoles for Molecular Structure and Intermolecular Interactions of Oxalamides. CrystEngComm 2005, 7, 260-265.
- M. Hoffmann, A. Plutecka, U. Rychlewska, Z. Kucybala, J. Paczkowski, I. Pyszka
New Type of Bonding Formed Due to an Overlap between π-Aromatic and π* C=O Molecular Orbitals Stabilizes the Coexistence in One Molecule the Ionic and Neutral meso-Ionic Forms of Imidazopyridine. J. Phys. Chem. A 2005, 109, 4568-4574.
- M. Hoffmann
Quantum Chemical Study on Chiral Recognition Modes between Esters of a-Hydroxycarboxylic Acids and Amino Acids. Polish Journal of Chemistry 2005, 75, 1179-1186.
- K. Pachucki, J. Komasa
Gaussian basis sets with the cusp condition.
Chem. Phys. Lett. 2004 389, 209-
- K. Pachucki, J. Komasa
Relativistic and QED corrections for the Beryllium atom.
Phys. Rev. Lett. 2004 92, 213001-
- M. Hoffmann, I. V. Khavrutskii, D. G. Musaev, K. Morokuma
The Protein Effect on the O2 Binding to the Active Site of the Methane Monooxygenase: ONIOM Study. Int. J. Quantum Chem. 2004, 99, 972-980.
- J. Rychlewski, J. Komasa
Explicitly correlated functions in variational calculations.
in Explicitly Correlated Wave Functions in Chemistry and Physics (edited by J.Rychlewski) Kluwer Academic Publishers, Dordrecht 2003, 91-
- M. Giel-Pietraszuk, M. Hoffmann, S. Dolecka, J. Rychlewski, J. Barciszewski
Palindromes in Proteins. Journal of Protein Chemistry 2003, 22, 109-113.
- M. Torchała, J. Komasa
Efficiency of Matrix Elements Computations On Parallel Systems.
Computational Methods In Science and Technology 2003 9(1-2), 137-145
- J. Komasa
Dipole and quadrupole polarizabilities and shielding factors of beryllium from exponentially correlated Gaussian functions.
Phys. Rev. A 2002 65, 012506-
- J. Komasa
Lower bounds to the dynamic dipole polarizability of beryllium.
Chem. Phys. Lett. 2002 363, 307-
- M. Hoffmann, J. Rychlewski
When, in the Context of Drug Design, Can a Fluorine Atom Successfully Substitute a Hydroxyl Group?
Int. J. Quantum Chem. 2002, 89, 419-427.
- M. Olejniczak, Z. Gdaniec, A. Fischer, T. Grabarkiewicz, L. Bielecki, and R.W. Adamiak
The bulge region of HIV-1 TAR RNA binds metal ions in solution Nucl. Acids. Res. 2002 30, 4241-4249
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