Publications
- A. Zawada, R. W. Góra, M. M. Mikołajczyk, W. Bartkowiak, On the Calculations of Interaction Energies and Induced Electric Properties within Polarizable Continuum Model, J. Phys. Chem. A 116 (17), 4409-4416 (2012) DOI
- A. Zawada, A. Kaczmarek-Kedziera, W. Bartkowiak, On the potential application of DFT methods in predicting the interaction-induced electric properties of molecular complexes. Molecular H-bonded chains as a case study., J. Mol. Mod. (2012) [in press]
- A. Zawada, A. Kaczmarek-Kedziera, W. Bartkowiak, Erratum to Assessment of DFT functionals for the calculation of interaction-induced electric properties of molecular complexes: Chem. Phys. Lett. 503 (2011) 39, Chem. Phys. Lett. 510 161-164 (2011)
- A. Zawada, W. Bartkowiak, Many-body interactions and the electric response of hydrogen-bonded molecular chains, Computational and Theoretical Chemistry 967 120-128 (2011)
- R. W. Góra, R. Zaleśny, A. Zawada, W. Bartkowiak, B. Skwara, M. Papadopoulos, . da Silva, D., L., Large Changes of Static Electric Properties of Linear HCN Oligomers Induced by Hydrogen Bonding. An Ab Initio Study , J. Phys. Chem. A 115 (18), 4691–4700 (2011) DOI
- A. Zawada, A. Kaczmarek-Kedziera, W. Bartkowiak, Assessment of DFT functionals for calculations of interaction-induced electric properties of molecular complexes, Chem. Phys. Lett. 503 39-44 (2011)
- A. Baranowska, A. Zawada, B. Fernandez, W. Bartkowiak, D. Kedziera, A. Kaczmarek-Kedziera, Interaction–induced electric properties and cooperative effects in model systems, Phys. Chem. Chem. Phys. 12 852 - 862 (2010)
- B. Skwara, A. Zawada, W. Bartkowiak, On the many-body components of interaction-induced electric properties: linear fluoroacetylene trimer as a case study, Computing Letters (CoLe) 3 155-182 (2007)
- B. Skwara, W. Bartkowiak, A. Zawada, R. W. Góra, J. Leszczynski, On the cooperativity of the interaction-induced (hyper)polarizabilities of the selected hydrogen-bonded trimers, Chem. Phys. Lett. 436 (1-3), 116-123 (2007) DOI
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