Publikacje naukowe i projekty badawcze

  • Ponad 150 oryginalnych artykułów oraz rozdziałów książkowych.

  • Ponad 1600 niezależnych cytowań (baza Scopus).

  • Indeks Hirscha: 28.

  • Kierownictwo bądź uczestnictwo w ok. 25 projektach badawczych (krajowych i międzynarodowych).

  • Zestawienie publikacji: https://dona.pwr.edu.pl

Rozdziały w monografiach i książkach:

  1. Bartkowiak, W.; Skwara, B.; Zaleśny, R. The Influence of Solvent on the Two-Photon Absorption Cross Section and Hyperpolarizability of Molecules Exhibiting Large Solvatochromic Shifts, in: G. Maroulis (ed.) Computational Aspects of Electric Polarizability Calculations: Atoms, Molecules and Clusters, IOS Press, Amsterdam 2004.
  2. Bartkowiak, W.; Zaleśny, R. SOS Methods in Calculations of Electronic NLO Properties, in: M. G. Papadopoulos et al. (eds.) Non-linear Optical Properties of Matter: From Molecules to Condensed Phases, Vol. 1, Series: Challenges and Advances in Computational Chemistry and Physics, Springer 2006, p. 129-150. 
  3. Bartkowiak, W. Solvatochromism and Nonlinear Optical Properties of Donor-Acceptor π-Conjugated Molecules, in: M. G. Papadopoulos et al. (eds.) Non-Linear Optical Properties of Matter: From Molecules to Condensed Phases, Vol. 1, Series: Challenges and Advances in Computational Chemistry and Physics, Springer 2006, p. 299-308. 
  4. Wielgus M.; Bartkowiak, W. Solvent effect on two-photon absorption of organic molecules, in: G. Wypych (ed.)  Handbook of Solvents, Vol.1, ChemTec Publishing, Toronto 2014, p. 695-702.
  5. Bartkowiak; W.; Chołuj; M.; Kozłowska, J. Effect of confinement on the optical response properties of molecules in: P. Kumar et al. (eds.)  Chemical reactivity in confined systems : theory, modelling and applications, Hoboken, NJ : John Wiley & Sons, 2021, p. 213-223.
  6. Medved, M.;  Budzák, Š.; Bartkowiak, W.; Reis, H. Solvent effects on molecular electric properties, in: J. Leszczynski (ed.) Handbook of computational chemistry, Dordrecht: Springer Science+Business Media, 2016, p. 1-54.
  7. Bartkowiak, W.; Lipkowski, P.; Chołuj, M. Molecular systems in spatial confinement: variation of linear and nonlinear electrical response of molecules in the bond dissociation processes, in M. Musiał et al. (eds.) Advances in Quantum Chemistry (Polish quantum chemistry from Kołos to now), Vol. 87, Cambridge: Academic Press, 2023, p. 335-350.

Ostatnie publikacje

Abstract

The (hyper)polarizabilities (α, β and γ) of lithium hydride (LiH) as a function of internuclear distance in the free space and under the spatial confinement were investigated through quantum chemical calculations. The spatial confinement effects were simulated using a two-dimensional harmonic oscillator potential, expected to capture the exchange repulsion within the confining environments of cylindrical symmetry. The most important observation is connected with the fact that the (hyper)polarizabilities of LiH during the dissociation process (at large internuclear distances) are remarkable enhanced. Moreover, we found that when the bond length of the LiH molecule embedded in an external repulsive potential is strongly stretched (in the intermediate dissociation region), the nonlinear optical response strength may increase by several orders of magnitude. Additionally, the obtained results for LiH were confronted with the predictions, without spatial confinement, for the H2 molecule received by other authors.

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