Robert Zaleśny, Ph. D.

A3/310
+48 (71) 320 3606
robert.zalesny@pwr.wroc.pl

Publications

  1. R. Zaleśny, A. Baranowska-Laczkowska, M. Medved, J. M. . Luis, Comparison of property-oriented basis sets for the computation of electronic and nuclear relaxation hyperpolarizabilities, Journal of Chemical Theory and Computation 11 4119–4128 (2015) DOI
  2. N. H. List, R. Zaleśny, N. A. Murugan, J. Kongsted, W. Bartkowiak, H. Agren, Relation Between Nonlinear Optical Properties of Push-Pull Molecules and Metric of Charge Transfer Excitations, J. Chem. Theory Comput. 11 4182–4188 (2015) DOI
  3. R. Zaleśny, R. W. Góra, J. M. . Luis, W. Bartkowiak, On the particular importance of vibrational contributions to static electric properties of model linear molecules under spatial confinement, Phys. Chem. Chem. Phys. 17 21782-21786 (2015) DOI
  4. R. Zaleśny, N. A. Murugan, F. Gelmukhanov, Z. Rinkevicius, B. Ośmiałowski, W. Bartkowiak, H. Agren, Towards Fully Nonempirical Simulations of Optical Band Shapes of Molecules in Solution: A Case Study of Heterocyclic Ketoimine Difluoroborates, J. Phys. Chem. A 119 5145–5152 (2015) DOI
  5. R. Zaleśny, G. Tian, C. Hättig, W. Bartkowiak, H. Agren, Toward assessment of density functionals for vibronic coupling in two-photon absorption: A case study of 4-nitroaniline, Journal of Computational Chemistry 36 1124-1131 (2015) DOI
  6. B. Ośmiałowski, A. Zakrzewska, B. Jędrzejewska, A. Grabarz, R. Zaleśny, W. Bartkowiak, E. . Kolehmainen, The influence of substituent and benzoannulation on photophysical properties of 1-benzoylmethyleneisoquinoline difluoroborates, Journal of Organic Chemistry 80 2072–2080 (2015) DOI
  7. K. Matczyszyn, J. Olesiak-Bańska, K. Nakatani, P. Yu, N. A. Murugan, R. Zaleśny, A. Roztoczyńska, J. Bednarska, W. Bartkowiak, J. Kongsted, H. Agren, M. Samoć, One- and Two-Photon Absorption of a Spiropyran/Merocyanine System: Experimental and Theoretical Studies, J. Phys. Chem. B 119 (4), 1515–1522 (2015) DOI
  8. N. A. Murugan, R. Zaleśny, J. Kongsted, A. Nordberg, H. Agren, Promising two-photon probes for in-vivo detection of beta amyloid deposits, Chemical Communications 50 11694-11697 (2014) DOI
  9. M. Vivas, . da Silva, Daniel Luiz, J. Malinge, M. Boujtita, R. Zaleśny, W. Bartkowiak, H. Agren, S. Canuto, L. De Boni, E. Ishow, C. R. Mendonca, Molecular Structure – Optical Property Relationships for a Series of Non-Centrosymmetric Two-photon Absorbing Push-Pull Triarylamine Molecules , Scientific Reports 4 4447 (2014) DOI
  10. R. Zaleśny, Anharmonicity contributions to the vibrational first and second hyperpolarizability of para-disubstituted benzenes , Chemical Physics Letters 595-596 109-112 (2014) DOI
  11. N. A. Murugan, R. Zaleśny, J. Kongsted, H. Agren, Chelation-induced quenching of two-photon absorption of azacrown ether substituted distyryl benzene for metal ion sensing, J. Chem. Theory Comput. 10 778 (2014) DOI
  12. J. Kozłowska, R. Zaleśny, W. Bartkowiak, On the nonlinear electrical properties of molecules in confined spaces - from cylindrical harmonic potential to carbon nanotube cages, Chem. Phys. 428 19-28 (2014) DOI
  13. M. Wielgus, R. Zaleśny, N. A. Murugan, J. Kongsted, H. Agren, M. Samoć, W. Bartkowiak, Two-photon solvatochromism. II. Experimental and theoretical study of solvent effects on the two-photon absorption spectrum of Reichardt's dye, ChemPhysChem 14 3731-3739 (2013) DOI
  14. J. Olesiak-Bańska, K. Matczyszyn, R. Zaleśny, N. A. Murugan, J. Kongsted, H. Agren, W. Bartkowiak, M. Samoć, Revealing Spectral Features in the Two-Photon Absorption Spectrum of the Hoechst 33342 dye: A Combined Experimental and Quantum-Chemical Study, J. Phys. Chem. B 117 12013–12019 (2013) DOI
  15. K. Łączkowski, Ż. Czyżnikowska, R. Zaleśny, A. Baranowska-Laczkowska, The B-H-B bridging interaction in B-substituted oxazaborolidine-borane complexes. A theoretical study, Structural Chemistry 24 1485­-1492 (2013) DOI
  16. A. Zakrzewska, R. Zaleśny, E. . Kolehmainen, B. Ośmiałowski, B. Jędrzejewska, H. Agren, M. Pietrzak, Substituent effects on the photophysical properties of fluorescent 2-benzoylmethylenequinoline difluoroboranes: A combined experimental and quantum chemical study, Dyes and Pigments 99 957–965 (2013) DOI
  17. J. Bednarska, A. Roztoczyńska, W. Bartkowiak, R. Zaleśny, Comparative assessment of density functionals for excited-state dipole moments, Chem. Phys. Lett. 584 58-62 (2013) DOI
  18. R. Zaleśny, R. W. Góra, J. Kozłowska, J. M. . Luis, H. Agren, W. Bartkowiak, Resonant and non-resonant hyperpolarizabilities of spatially confined molecules: a case study of cyanoacetylene, J. Chem. Theory Comput. 9 3463–3472 (2013) DOI
  19. I. Bulik, R. Zaleśny, W. Bartkowiak, J. M. . Luis, B. . Kirtman, G. Scuseria, A. Avramopoulos, H. Reis, M. Papadopoulos, Performance of density functional theory in computing non-resonant vibrational (hyper)polarizabilities, J. Comput. Chem. 34 1775–1784 (2013) DOI
  20. M. Vivas, . da Silva, D., L., L. De Boni, Y. Bretonniere, C. Andraud, F. Laibe-Darbour, J. C. Mulatier, R. Zaleśny, W. Bartkowiak, S. Canuto, C. R. Mendonca, Revealing the electronic and molecular structure of randomly oriented molecules by polarized two-photon spectroscopy, J. Phys. Chem. Lett. 4 1753–1759 (2013) DOI
  21. W. Zierkiewicz, R. Zaleśny, P. Hobza, On the Nature of Unusual Intensity Changes in the Infrared Spectra of the Enflurane-Acetone Complexes, Phys. Chem. Chem. Phys. 15 6001-6007 (2013) DOI
  22. S. P. Sitkiewicz, M. M. Mikołajczyk, P. Toman, R. Zaleśny, W. Bartkowiak, Towards first-principles based modeling of poly-3-alkylthiophenes: The nature of interactions in 2,2'-bithiophene dimer, Chemical Physics Letters 566 67-70 (2013) DOI
  23. A. Baranowska-Laczkowska, W. Bartkowiak, R. W. Góra, F. Pawłowski, R. Zaleśny, 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. 34 819-826 (2013) DOI
  24. A. Baranowska-Laczkowska, B. Fernandez, R. Zaleśny, New basis sets for the evaluation of interaction-induced electric properties in hydrogen bonded complexes, J. Comput. Chem. 34 275–283 (2013) DOI
  25. Ż. Czyżnikowska, R. W. Góra, R. Zaleśny, W. Bartkowiak, A. Baranowska-Laczkowska, J. Leszczynski, The effect of intermolecular interactions on the electric dipole polarizabilities of nucleic acid base complexes, Chem. Phys. Lett. 555 230-234 (2013) DOI
  26. M. Vivas, . da Silva, D., L., L. De Boni, Y. Bretonniere, C. Andraud, F. Laibe-Darbour, J. C. Mulatier, R. Zaleśny, W. Bartkowiak, S. Canuto, C. R. Mendonca, Experimental and theoretical study on the one- and two-photon absorption properties of organic molecules based on phenylacetylene and azoaromatic moieties, J. Phys. Chem. B 116 14677 (2012)
  27. R. Zaleśny, I. Bulik, M. M. Mikołajczyk, W. Bartkowiak, J. M. . Luis, B. . Kirtman, A. Avramopoulos, M. Papadopoulos, Critical assessment of density functional theory for computing vibrational (hyper)polarizabilities , AIP Conf. Proc. 1504 655-658 (2012) DOI
  28. R. W. Góra, R. Zaleśny, J. Kozłowska, P. Naciążek, A. Roztoczyńska, K. Strasburger, W. Bartkowiak, Electric dipole (hyper)polarizabilities of spatially confined LiH molecule, J. Chem. Phys. 137 094307 (2012) DOI
  29. M. M. Mikołajczyk, Ż. Czyżnikowska, P. . Czeleń, U. Bielecka, R. Zaleśny, P. Toman, W. Bartkowiak, Quantum chemical study on hole transfer coupling in nucleic acid base complexes containing 7-deazaadenine , Chem. Phys. Lett. 537 94–100 (2012) DOI
  30. M. Vivas, D. Silva, L. De Boni, R. Zaleśny, W. Bartkowiak, C. R. Mendonca, Two-photon absorption spectra of carotenoids compounds, J. Appl. Phys. 109 (103529), (2011) DOI
  31. B. Skwara, R. W. Góra, R. Zaleśny, P. Lipkowski, W. Bartkowiak, H. Reis, M. Papadopoulos, J. M. . Luis, B. . Kirtman, On the Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C28, J. Phys. Chem. A 115 (37), 10370–10381 (2011) DOI
  32. M. M. Mikołajczyk, R. Zaleśny, Ż. Czyżnikowska, P. Toman, J. Leszczynski, W. Bartkowiak, Long-range corrected DFT calculations of charge-transfer integrals in metal-free phthalocyanines, J. Mol. Model. 17 2143–2149 (2011) DOI
  33. R. W. Góra, R. Zaleśny, A. Roztoczyńska, 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
  34. R. Zaleśny, M. Papadopoulos, P. G. Mezey, J. Leszczynski, Linear-Scaling Techniques in Computational Chemistry and Physics Linear-Scaling Techniques in Computational Chemistry and Physics, Linear-Scaling Techniques in Computational Chemistry and Physics Methods and Applications, Editor: R. Zaleśny, M. G. Papadopoulos, P. G. Mezey, J. Leszczynski, Series: Challenges and Advances in Computational Chemistry and Physics, Springer 2011 DOI
  35. H. Reis, O. Loboda, A. Avramopoulos, M. Papadopoulos, B. . Kirtman, J. M. . Luis, R. Zaleśny, Electronic and vibrational linear and non-linear polarizabilities of Li@C60 and [Li@C60]+, J. Comput. Chem. 32 908–914 (2011) DOI
  36. Ż. Czyżnikowska, R. W. Góra, R. Zaleśny, P. Lipkowski, K. Jarzembska, P. Dominiak, J. Leszczynski, Structural variability and the nature of intermolecular interactions in Watson-Crick B-DNA base pairs, J. Phys. Chem. B 114 (29), 9629–9644 (2010) DOI
  37. R. Zaleśny, I. Bulik, W. Bartkowiak, J. M. . Luis, A. Avramopoulos, M. Papadopoulos, P. Krawczyk, Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene, J. Chem. Phys 133 244308 (2010) DOI
  38. M. Vivas, . da Silva, D., L., R. Zaleśny, W. Bartkowiak, C. R. Mendonca, L. Misoguti, Degenerate Two-Photon Absorption in All-Trans Retinal: Nonlinear Spectrum and Theoretical Calculations, J. Phys. Chem. A 114 3466 (2010)
  39. R. Zaleśny, O. Loboda, G. Chatzikyriakos, S. Couris, G. Rotas, N. Tagmatarchis, A. Avramopoulos, M. Papadopoulos, Linear and Nonlinear Optical Properties of Triphenylamine-functionalized C60: Insights from Theory and Experiment, Phys. Chem. Chem. Phys. 12 373 (2010)
  40. R. Zaleśny, G. M. Wójcik, I. Mossakowska, W. Bartkowiak, A. Avramopoulos, M. Papadopoulos, Static electronic and vibrational first hyperpolarizability of meta-dinitrobenzene as studied by quantum chemical calculations, J. Mol. Struct. (THEOCHEM) 907 46-50 (2009) DOI
  41. Ż. Czyżnikowska, R. Zaleśny, M. Papadopoulos, Nucleic acid base complexes: Elucidation of the physical origins of their stability, In: Practical Aspects of Computational Chemistry, Editor: Leszczynski, Jerzy; Shukla, Manoj K., Springer 2009 [ISBN: 978-90-481-2686-6]
  42. Ż. Czyżnikowska, P. Lipkowski, R. W. Góra, R. Zaleśny, A. Cheng, On the nature of intermolecular interactions in nucleic acid base-amino acid side-chain complexes, J. Phys. Chem. B 113 (33), 11511–11520 (2009) DOI
  43. Ż. Czyżnikowska, J. Kurzawa, R. Zaleśny, P. Lipkowski, W. Bartkowiak, Reinvestigation of electronic structure and properties of large betaine molecules, Chem. Phys. Lett. 480 37-40 (2009)
  44. Ż. Czyżnikowska, R. Zaleśny, Theoretical insights into the nature of intermolecular interactions in cytosine dimer, Biophys. Chem. 139 137-143 (2009)
  45. Ż. Czyżnikowska, R. Zaleśny, M. Papadopoulos, On the role of electrostatic interactions in stabilization of oxidized nucleic acid base complexes, AIP Conference Proceedings 1148 301-304 (2009)
  46. E. Piovesan, . da Silva, D., L., L. De Boni, F. Guimaraes, L. Misoguti, R. Zaleśny, W. Bartkowiak, C. R. Mendonca, Two-photon absorption of perylene derivatives: interpreting the spectral structure, Chem. Phys. Lett. 479 52-55 (2009)
  47. P. Krawczyk, A. Kaczmarek, R. Zaleśny, K. Matczyszyn, W. Bartkowiak, M. Ziółkowski, P. Cysewski, Linear and nonlinear optical properties of azobenzene derivatives, J. Mol. Model. 15 581-590 (2009)
  48. O. Loboda, R. Zaleśny, A. Avramopoulos, H. Reis, M. Papadopoulos, E. Artacho, Linear-scaling calculations of linear and nonlinear optical properties of [60]fullerene derivatives, AIP Conference Proceedings 1108 198-204 (2009)
  49. R. Zaleśny, P. Krawczyk, W. Bartkowiak, M. Papadopoulos, Electronic and vibrational contributions to hyperpolarizabilities of medium-size organic molecules, AIP Conference Proceedings 1108 227-230 (2009)
  50. O. Loboda, R. Zaleśny, A. Avramopoulos, J. M. . Luis, B. . Kirtman, N. Tagmatarchis, H. Reis, M. Papadopoulos, Linear and Nonlinear Optical Properties of [60]Fullerene Derivatives, J. Phys. Chem. A 113 1159-1170 (2009)
  51. P. Cysewski, Ż. Czyżnikowska, R. Zaleśny, P. . Czeleń, The post-SCF quantum chemistry characteristics of the guanine–guanine stacking in B-DNA, Phys. Chem. Chem. Phys. 10 2665 (2008)
  52. Ż. Czyżnikowska, R. Zaleśny, P. Cysewski, Quantum chemical study of the nature of stacking interactions of 2-oxo-adenine with native B-DNA purines, Pol. J. Chem. 82 2269–2279 (2008)
  53. R. Zaleśny, M. Papadopoulos, W. Bartkowiak, A. Kaczmarek, On the electron correlation effects on electronic and vibrational hyperpolarizability of merocyanine dyes and vibrational hyperpolarizability of merocyanine dyes, The Journal of Chemical Physics 129 134310 (2008) DOI
  54. Ż. Czyżnikowska, R. Zaleśny, M. Ziółkowski, R. W. Góra, P. Cysewski, The nature of interactions in uracil dimer: An ab initio study, Chem. Phys. Lett. 450 (1-3), 132-137 (2007) DOI
  55. A. Kaczmarek, R. Zaleśny, W. Bartkowiak, On the influence of confinment effects on electric properties: An ab initio study, Chem. Phys. Lett. 449 314-318 (2007)
  56. R. Zaleśny, W. Bartkowiak, P. Toman, J. Leszczynski, Computational insight into relations between electronic and vibrational polarizabilities within the two-state valence-bond charge-transfer model, Chem. Phys. 337 77-80 (2007)
  57. R. Zaleśny, K. Matczyszyn, A. Kaczmarek, W. Bartkowiak, P. Cysewski, Experimental and theoretical investigations of spectroscopic properties of azobenzene derivatives in solution, J.Mol.Model. 13 (785-791), (2007)
  58. W. Bartkowiak, R. Zaleśny, SOS Methods in Calculations of Electric NLO Properties, In: Non-Linear Optical Properties of Matter; From Molecules to Condensed Phases, Vol. 1, Chapter 4, p. 129-150 Editor: M.G Papadopoulos, A.J. Sadlej, and J. Leszczynski, Series: Challenges and Advances in Computational Chemistry and Physics, Springer 2006
  59. W. Bartkowiak, P. Toman, J. Sworakowski, S. Nespurek, R. Zaleśny, Dipolowe i chemiczne pułapki nośników ładunków w polimerach. Badania kwantowo-chemiczne., Prace Naukowe Akademii im. Jana Długosza w Częstochowie, Fizyka 6-7 221-227 (2005)
  60. R. Zaleśny, W. Bartkowiak, Performance of the Reduced-Size Polarized Z3PolX Basis Set in Calculations of Vibrational Polarizabilities, Infrared, and Raman Intensities: Application to Formaldehyde Molecule, Int. J. Quantum Chem. 104 (5), 660-666 (2005) DOI
  61. W. Bartkowiak, W. Niewodniczański, T. Misiaszek, R. Zaleśny, First-order hyperpolarizabilty of piridinium N-phenolate betaine dye: Ab inito study., Chem. Phys. Lett. 411 (1-3), 8-13 (2005) DOI
  62. P. Toman, W. Bartkowiak, S. Nespurek, J. Sworakowski, R. Zaleśny, Quantum-chemical insight into the design of molecular optoelectrical switch, Chemical Physics 316 267-278 (2005) DOI
  63. R. Zaleśny, A. Sadlej, J. Leszczynski, Size-nonextensive contributions in singles-only CI, Structural Chemistry 15 383 (2004)
  64. W. Bartkowiak, B. Skwara, R. Zaleśny, The Influence of Solvent on the Two-Photon Absorption Cross Section and Hyperpolarizability of Molecules Exhibiting Large Solvatochromic Shifts, In: Computational Aspects of Electric Polarizability Calculations: Atoms, Molecules and Clusters, p. 317-324 Editor: G. Maroulis , IOS Press 2004
  65. R. Zaleśny, W. Bartkowiak, B. Champagne, Ab initio calculations of doubly resonant sum-frequency generation second-order polarizabilieties of LiH, Chem. Phys. Lett. 380 549-555 (2003)
  66. W. Bartkowiak, R. Zaleśny, J. Leszczynski, Relation between bond-lenght alternation and two-photon absorption of a push-pull conjugated molecules: a quantum-chemical study, Chem. Phys. 287 103-112 (2003)
  67. W. Bartkowiak, R. Zaleśny, M. Kowal, J. Leszczynski, The influence of the solute/solvent interactions on the first-order hyperpolarizability in urea molecule. A quantum chemical study, Chem. Phys. Lett. 362 224-228 (2003)
  68. R. Zaleśny, W. Bartkowiak, J. Leszczynski, Theoretical study of the two-photon absorption in photochromic fulgides., J. Lumin. 105 111-116 (2003)
  69. R. Zaleśny, W. Bartkowiak, S. Styrcz, J. Leszczynski, Solvent effects on conformationally induced enhancement of the two-photon absorption cross section of a pyridinum-N-phenolate betaine dye. A quantum chemical study., J. Phys. Chem. A 106 4032-4037 (2002)
  70. W. Bartkowiak, R. Zaleśny, W. Niewodniczański, J. Leszczynski, Quantum chemical calculations of the first- and second-order hyperpolarizabilieties of molecules in solutions., J. Phys. Chem. A 105 (47), 10702-10710 (2001) DOI

Tematy prac dyplomowych i badawczych (Research topics for students)