Wojciech Bartkowiak, Prof. PhD, DSc
Bartkowiak Group, Faculty
| Email: | wojciech.bartkowiak@pwr.edu.pl |
| Office: | A3 / 313 |
| Phone: | +48 71 320 2293 |
Theoretical chemist with interests in molecular nonlinear optics and properties of confined molecules.
Professor Wojciech Bartkowiak joined the Faculty of Chemistry at the Wroclaw University of Science and Technology in 1998 where he is now a Full Professor and the leader of the Department of Physical and Quantum Chemistry (formerly Theoretical Chemistry Group). He co-authored over 120 scientific publications and book chapters. His research focuses on electronic and vibrational structure theory of organic molecules with a special emphasis on multiphoton absorption and the influence of external confinement on molecular properties.
PapersMonographs
2699861
IIHTCBAM
1
american-chemical-society-with-titles-doi-no-et-al
50
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List, N. H.; Zaleśny, R.; Murugan, N. A.; Kongsted, J.; Bartkowiak, W.; Ågren, H. Relation between Nonlinear Optical Properties of Push–Pull Molecules and Metric of Charge Transfer Excitations. J. Chem. Theory Comput. 2015, 11 (9), 4182–4188. https://doi.org/10.1021/acs.jctc.5b00538.
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Zaleśny, R.; Tian, G.; Hättig, C.; Bartkowiak, W.; Ågren, H. Toward assessment of density functionals for vibronic coupling in two-photon absorption: A case study of 4-nitroaniline. J. Comput. Chem. 2015, 36 (15), 1124–1131. https://doi.org/10.1002/jcc.23903.
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Wielgus, M.; Michalska, J.; Samoc, M.; Bartkowiak, W. Two-photon solvatochromism III: Experimental study of the solvent effects on two-photon absorption spectrum of p-nitroaniline. DyesPigment 2015, 113, 426–434. https://doi.org/10.1016/j.dyepig.2014.09.009.
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Kozłowska, J.; Roztoczyńska, A.; Bartkowiak, W. About diverse behavior of the molecular electric properties upon spatial confinement. Chem. Phys. 2015. https://doi.org/10.1016/j.chemphys.2014.12.003.
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Vivas, M. G.; Silva, D. L.; Malinge, J.; Boujtita, M.; Zaleśny, R.; Bartkowiak, W.; Ågren, H.; Canuto, S.; De Boni, L.; Ishow, E.; Mendonca, C. R. Molecular Structure – Optical Property Relationships for a Series of Non-Centrosymmetric Two-photon Absorbing Push-Pull Triarylamine Molecules. Sci. Rep. 2014, 4. https://doi.org/10.1038/srep04447.
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Kozłowska, J.; Bartkowiak, W. The effect of spatial confinement on the noble-gas HArF molecule: structure and electric properties. Chem. Phys. 2014, 441, 83–92. https://doi.org/10.1016/j.chemphys.2014.07.008.
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Roztoczyńska, A.; Kozłowska, J.; Lipkowski, P.; Bartkowiak, W. Does the spatial confinement influence the electric properties and cooperative effects of the hydrogen bonded systems? HCN chains as a case study. Chem. Phys. Lett. 2014, 608, 264–268. https://doi.org/10.1016/j.cplett.2014.05.102.
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Kozłowska, J.; Zaleśny, R.; Bartkowiak, W. On the nonlinear electrical properties of molecules in confined spaces – From cylindrical harmonic potential to carbon nanotube cages. Chem. Phys. 2014, 428, 19–28. https://doi.org/10.1016/j.chemphys.2013.10.007.
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Sowula, M.; Misiaszek, T.; Bartkowiak, W. Solvent effect on the vibrational spectrum of Michler's ketone. Experimental and theoretical investigations. Spectr. Acta Part A: Molec. Bio. Spect. 2014, 131, 678–685. https://doi.org/10.1016/j.saa.2014.04.143.
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Lipkowski, P.; Kozłowska, J.; Roztoczyńska, A.; Bartkowiak, W. Hydrogen-bonded complexes upon spatial confinement: structural and energetic aspects. Phys. Chem. Chem. Phys. 2014, 16 (4), 1430–1440. https://doi.org/10.1039/C3CP53583E.
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Bielecka, U.; Janus, K.; Bartkowiak, W. Nanoaggregation of p3ht in chloroform-anisole solution: relationship between morphology and electrical properties. In Proc. SPIE; 2014; Vol. 9185, pp 91850E-91850E – 7. https://doi.org/10.1117/12.2061626.
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Bielecka, U.; Lutsyk, P.; Nyk, M.; Janus, K.; Samoc, M.; Bartkowiak, W.; Nespurek, S. Hole transport in organic field-effect transistors with active poly(3-hexylthiophene) layer containing CdSe quantum dots. Mater. Sci-Pol 2013, 31 (2), 288–297. https://doi.org/10.2478/s13536-013-0101-0.
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Czyżnikowska, Ż.; Góra, R. W.; Zaleśny, R.; Bartkowiak, W.; Baranowska-Łączkowska, A.; Leszczyński, J. The Effect of Intermolecular Interactions on the Electric Dipole Polarizabilities of Nucleic Acid Base Complexes. Chem. Phys. Lett. 2013, 555 (0), 230–234. https://doi.org/http://dx.doi.org/10.1016/j.cplett.2012.10.087.
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Bulik, I. W.; Zaleśny, R.; Bartkowiak, W.; Luis, J. M.; Kirtman, B.; Scuseria, G. E.; Avramopoulos, A.; Reis, H.; Papadopoulos, M. G. Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities. J. Comput. Chem. 2013, 34 (20), 1775–1784. https://doi.org/10.1002/jcc.23316.
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Roztoczyńska, A.; Kaczmarek-Kędziera, A.; Góra, R. W.; Bartkowiak, W. How does the Boys and Bernardi counterpoise correction scheme affects the calculated interaction-induced electric properties? Model hydrogen-bonded systems as a case study. Chem. Phys. Lett. 2013, 571 (0), 28–33. https://doi.org/10.1016/j.cplett.2013.03.081.
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Vivas, M. G.; Silva, D. L.; De Boni, L.; Bretonniere, Y.; Andraud, C.; Laibe-Darbour, F.; Mulatier, J.-C.; Zaleśny, R.; Bartkowiak, W.; Canuto, S.; Mendonca, C. R. Revealing the Electronic and Molecular Structure of Randomly Oriented Molecules by Polarized Two-Photon Spectroscopy. J. Phys. Chem. Lett. 2013, 4 (10), 1753–1759. https://doi.org/10.1021/jz4007004.
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Kozłowska, J.; Wielgus, M.; Bartkowiak, W. TD-DFT study on the charge-transfer excitations of anions possessing double or triple bonds. Comp. Theo. Chem. 2013, 1014, 49–55. https://doi.org/10.1016/j.comptc.2013.03.028.
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Zaleśny, R.; Góra, R. W.; Kozłowska, J.; Luis, J. M.; Ågren, H.; Bartkowiak, W. Resonant and Nonresonant Hyperpolarizabilities of Spatially Confined Molecules: A Case Study of Cyanoacetylene. J. Chem. Theory Comput. 2013, 9 (8), 3463–3472. https://doi.org/10.1021/ct400410m.
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Sitkiewicz, S. P.; Mikołajczyk, M. M.; Toman, P.; Zaleśny, R.; Bartkowiak, W. Towards first-principles based modeling of poly-3-alkylthiophenes: The nature of interactions in 2,2′-bithiophene dimer. Chem. Phys. Lett. 2013, 566, 67–70. https://doi.org/10.1016/j.cplett.2013.02.061.
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Wielgus, M.; Zaleśny, R.; Murugan, N. A.; Kongsted, J.; Ågren, H.; Samoc, M.; Bartkowiak, W. Two-Photon Solvatochromism II: Experimental and Theoretical Study of Solvent Effects on the Two-Photon Absorption Spectrum of Reichardt's Dye. ChemPhysChem 2013, 14 (16), 3731–3739. https://doi.org/10.1002/cphc.201300695.
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Olesiak-Banska, J.; Matczyszyn, K.; Zaleśny, R.; Murugan, N. A.; Kongsted, J.; Ågren, H.; Bartkowiak, W.; Samoc, M. Revealing Spectral Features in Two-Photon Absorption Spectrum of Hoechst 33342: A Combined Experimental and Quantum-Chemical Study. J. Phys. Chem. B 2013, 117 (40), 12013–12019. https://doi.org/10.1021/jp407144k.
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Baranowska-Łączkowska, A.; Bartkowiak, W.; Góra, R. W.; Pawłowski, F.; Zaleśny, R. On the Performance of Long-Range-Corrected Density Functional Theory and Reduced-Size Polarized LPol-n Basis Sets in Computations of Electric Dipole (Hyper)Polarizabilities of π-Conjugated Molecules. J. Comput. Chem. 2013, 34 (10), 819–826. https://doi.org/10.1002/jcc.23197.
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Góra, R. W.; Zaleśny, R.; Kozłowska, J.; Naciążek, P.; Roztoczyńska, A.; Strasburger, K.; Bartkowiak, W. Electric dipole (hyper)polarizabilities of spatially confined LiH molecule. J. Chem. Phys. 2012, 137 (9), 094307. https://doi.org/doi:10.1063/1.4748144.
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Vivas, M. G.; Silva, D. L.; De Boni, L.; Bretonniere, Y.; Andraud, C.; Laibe-Darbour, F.; Mulatier, J.-C.; Zaleśny, R.; Bartkowiak, W.; Canuto, S.; Mendonca, C. R. Experimental and Theoretical Study on the One- and Two-Photon Absorption Properties of Novel Organic Molecules Based on Phenylacetylene and Azoaromatic Moieties. J. Phys. Chem. B 2012, 116 (50), 14677–14688. https://doi.org/10.1021/jp310731t.
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https://fermi.pwr.edu.pl/wp-content/plugins/zotpress/
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