Wojciech Bartkowiak, Prof.

A-2 / 14
+48 (71) 320 2293
+48 (71) 320 33 64
wojciech.bartkowiak@pwr.wroc.pl
http://zcht.pl

Publications

  1. M. Wielgus, M. Gordel, M. Samoć, W. Bartkowiak, Solvent effects on the optical properties of PEG-SH and CTAB capped gold nanorods, Acta Phys. Polon. 130 (6), 1380-1384 (2016) DOI
  2. M. Wielgus, M. Samoć, W. Bartkowiak, Two-photon absorption of Crystal Violet in solutions: analysis of the solvent effect and aggregation process based on linear and nonlinear absorption spectra, J. Mol. Liquids 222 125-132 (2016) DOI
  3. M. Wielgus, J. Michalska, M. Samoć, W. Bartkowiak, Two-Photon Solvatochromism III: Experimental Study of the Solvent Effects on Two-Photon Absorption Spectrum of p-Nitroaniline, Dyes and Pigments 113 426-434 (2015) DOI
  4. 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
  5. 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
  6. 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
  7. 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
  8. 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
  9. 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
  10. J. Kozłowska, A. Roztoczyńska, W. Bartkowiak, About diverse behavior of the molecular electric properties upon spatial confinement, Chemical Physics (2015) DOI
  11. J. Kozłowska, A. Roztoczyńska, W. Bartkowiak, About diverse behavior of the molecular electric properties upon spatial confinement, Chemical Physics (2015) [accepted]
  12. U. Bielecka, K. Janus, W. Bartkowiak, Nanoagregation of p3ht in chloroform-anisole solution: relationship between morphology and electric properties, Proceedings of SPIE 9185 (2014)
  13. J. Kozłowska, W. Bartkowiak, The effect of spatial confinement on the noble-gas HArF molecule: structure and electric properties, Chemical Physics 441 83-92 (2014)
  14. M. Sowula, T. Misiaszek, W. Bartkowiak, Solvent effect on the vibrational spectrum of Michler's ketone. Experimental and theoretical studies, Spectrochimica Acta Part A 131 678-685 (2014) DOI
  15. A. Roztoczyńska, J. Kozłowska, P. Lipkowski, W. Bartkowiak, Does the spatial confinement influence the electric properties and cooperative effects of the hydrogen bonded systems? HCN chains as a case study., Chemical Physics Letters 608 264-268 (2014)
  16. M. Wielgus, W. Bartkowiak, Solvent effect on two-photon absorption of organic molecules, Chapter in: Handbook of Solvents, Vol. 1, ChemTec Publishing, Toronto 2014 695-702 (2014)
  17. 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
  18. P. Lipkowski, J. Kozłowska, A. Roztoczyńska, W. Bartkowiak, Hydrogen-bonded complexes upon spatial confinement: Structural and energetic aspects, Phys.Chem. Chem. Phys. 16 1430-1440 (2014) DOI
  19. 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
  20. 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
  21. 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
  22. 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
  23. 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
  24. A. Roztoczyńska, A. Kaczmarek-Kedziera, R. W. Góra, W. Bartkowiak, 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. 571 28-33 (2013) DOI
  25. 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
  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, Revealing the electronic and molecular structure of randomly oriented molecules by polarized two-photon spectroscopy, J. Phys. Chem. Lett. 4 1753–1759 (2013) DOI
  27. J. Kozłowska, M. Wielgus, W. Bartkowiak, TD-DFT study on the charge-transfer excitations of anions possessing double or triple bonds, Computational and Theoretical Chemistry 1014 49-55 (2013)
  28. U. Bielecka, P. Lutsyk, M. Nyk, K. Janus, M. Samoć, W. Bartkowiak, S. Nespurek, Hole transport in organic field-effect transistors with active poly3(hexylthiophene) layer containing CdSe quantum dots, Materials Science-Poland 31 (2), 288-297 (2013) DOI
  29. 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
  30. 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
  31. 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
  32. 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)
  33. 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
  34. M. Wielgus, W. Bartkowiak, M. Samoć, Two-photon solvatochromism. I. Solvent effects on two-photon absorption cross section of 4-dimethylamino-4'-nitrostilbene (DANS), Chemical Physics Letters 554 113-116 (2012) DOI
  35. 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
  36. A. Roztoczyńska, 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. 18 3073 (2012)
  37. M. Wielgus, J. Kozłowska, W. Bartkowiak, Quantum chemistry in molecular nonlinear optics , Wiadomosci Chemiczne 66 1 (2012)
  38. 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
  39. A. Roztoczyńska, 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
  40. U. Bielecka, P. Lutsyk, K. Janus, W. Bartkowiak, J. Sworakowski, Effect of solution aging on morphology and electrical characteristics of regioregular P3HT FETs fabricated by spin coating and spray coating, Organic Electronics 12 1768-1776 (2011) DOI
  41. 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
  42. A. Roztoczyńska, 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)
  43. A. Roztoczyńska, W. Bartkowiak, Many-body interactions and the electric response of hydrogen-bonded molecular chains, Computational and Theoretical Chemistry 967 120-128 (2011)
  44. 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
  45. 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
  46. 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
  47. Ż. Czyżnikowska, W. Bartkowiak, Physical origins of the stability of aromatic amino acid core ring-polycyclic hydrocarbon complexes, J. Comput. Chem. 32 1887–1895 (2011) DOI
  48. A. Roztoczyńska, 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)
  49. 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
  50. W. Bartkowiak, K. Strasburger, Linear and nonlinear electric properties of spatially confined LiH molecule, studied with the finite field method, J. Mol. Struct. (THEOCHEM) 960 93-97 (2010)
  51. A. Baranowska, A. Roztoczyńska, 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)
  52. 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)
  53. M. M. Mikołajczyk, P. Toman, W. Bartkowiak, Theoretical study of influence of the structural disorder on the charge carrier mobility in triphenylene stacks, Chem. Phys. Lett. 485 253 (2010) DOI
  54. 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
  55. D. Silva, P. Krawczyk, W. Bartkowiak, C. R. Mendonca, Theoretical Study of one- and two-photon absorption spectra of azoaromatic compounds, J. Chem. Phys. 131 244516-1 (2009)
  56. U. Oleksińska, M. M. Mikołajczyk, W. Bartkowiak, Transport nośników ładunku w DNA, Prace Naukowe Studentów Wydziału Chemicznego Politechniki Wrocławskiej 7 101-106 (2009)
  57. 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)
  58. W. Bartkowiak, (ed.) Special Issue: 11th International Conference on Electrical and Related Properties of Organic Solids (ERPOS 11), Materials Science-Poland 27 (3), (2009)
  59. P. Toman, S. Nespurek, W. Bartkowiak, Modeling of charge carrier transport in conjugated polymers doped by polar additives, Materials Science-Poland 27 797-812 (2009)
  60. 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)
  61. 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)
  62. B. Skwara, W. Bartkowiak, . da Silva, D., L., On the basis set superposition error in supermolecular calculations of interaction-induced electric properties. Many-body components, Theor. Chem. Acc. 122 127-136 (2009) DOI
  63. A. Kaczmarek, W. Bartkowiak, The influence of the chemical compression on the electric properties of molecular systems within the supermolecular approximation: the LiH molecule as a case study, Physical Chemistry Chemical Physics 11 2885-2892 (2009) DOI
  64. P. Toman, S. Nespurek, M. Weiter, M. Vala, J. Sworakowski, W. Bartkowiak, M. Mensik, Model of the influence of energetic disorder on inter-chain charge carrier mobility in poly[2-methoxy-5-(2'-ethylhexyloxy)-p-phenylene vinylene], Polym. Adv. Technol. 20 263-267 (2009)
  65. 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)
  66. B. Skwara, A. Kaczmarek, R. W. Góra, W. Bartkowiak, On the decomposition of interaction-induced electric properties of HF dimer, Chemical Physics Letters 461 203-206 (2008) DOI
  67. 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
  68. P. Toman, S. Nespurek, M. Weiter, M. Vala, J. Sworakowski, W. Bartkowiak, M. Mensik, Photoswitching in polymers with photochromic dipolar species, Nonlinear Optics Quantum Optics 36 (3-4), 289-300 (2007) [Re-published in: Nonlinear Optics Quantum Optics 37, 87-98 (2007)]
  69. B. Skwara, A. Roztoczyńska, 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)
  70. 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)
  71. 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)
  72. W. Niewodniczański, W. Bartkowiak, Theoretical Study of Geometrical and Nonlinear Optical Properties of Pyridinium N-Phenolate Betaine Dyes, J.Mol.Model. 13 793-800 (2007) DOI
  73. 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)
  74. B. Skwara, W. Bartkowiak, A. Roztoczyńska, 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
  75. B. Skwara, W. Bartkowiak, The three-body effects in interaction-induced electric properties of selected hydrogen-bonded systems, Politechnika Łódzka, Scientific Bulletin, Physics 26 (987), 21-28 (2006)
  76. P. Toman, S. Nespurek, M. Weiter, M. Vala, J. Sworakowski, W. Bartkowiak, M. Mensik, Influence of dipolar species on charge transport in poly[2-methoxy-5-(2'-ethylhexyloxy)-p-phenylene vinylene], Polymers for Advanced Technologies 17 (9-10), 673-678 (2006) DOI
  77. W. Bartkowiak, Solvatochromism and two-photon absorption of donor-acceptor organic chromophores, In: Recent Progress in Computational Sciences and Engineering, Vol. 7, p. 1241-1244 Editor: T. Simos and G. Maroulis, Series: Lecture Series on Computer and Computational Sciences, Editor: T. Simos, Brill Academic Publishers, Leiden The Netherlands 2006
  78. 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
  79. W. Bartkowiak, Solvatochromism and Nonlinear Optical Properties of Donor-Acceptor pi-Conjugated Molecules, In: Non-Linear Optical Properties of Matters; From Molecules to Condensed Phases, Vol. 1, Chapter 9, p. 299-318 Editor: M.G. Papadopoulos, A.J. Sadlej, and J. Leszczynski, Series: Challenges and Advances in Computational Chemistry and Physics, Springer 2006
  80. B. Skwara, W. Bartkowiak, R. W. Góra, W. Niewodniczański, S. Roszak, On the weak intermolecular interactions and their influence on the optical properties of unsaturated hydrocarbons. Part 1: Two-body interactions., Mol. Phys. 104 (13-14), 2263-2271 (2006) DOI
  81. W. Bartkowiak, S. Roszak, Special Issue: In Honor of Henryk Chojnacki. On the Occasion of His Seventieth Birthday, Structural Chemistry 15 349 (2005)
  82. W. Niewodniczański, W. Bartkowiak, J. Leszczynski, Reinvestigation of molecular structure and barrier to internal rotation of pyridinium N-phenolate betaine dye, J. Mol. Model. 11 (4-5), 392-397 (2005) DOI
  83. 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)
  84. 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
  85. B. Skwara, W. Bartkowiak, R. W. Góra, W. Niewodniczański, Theoretical Investigations of the Intermolecular Interactions between Unsaturated Hydrocarbons: π-cojugated and π-cumulated Oligomers, Annals Pol. Chem. Soc. 4 662-666 (2005)
  86. 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
  87. P. Toman, S. Nespurek, W. Bartkowiak, J. Sworakowski, Excitations in oligosilanes with photochromic side groups, Journal of Luminescence 112 386-390 (2005) DOI
  88. S. Nespurek, G. Wang, P. Toman, J. Sworakowski, W. Bartkowiak, M. Iwamoto, C. Combellas, Charge mobilities in molecular materials reversibly modified by light: towards a molecular switch, Molecular Crystals and Liquid Crystals 430 127-133 (2005) DOI
  89. 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
  90. B. Skwara, R. W. Góra, W. Bartkowiak, On the influence of non-additive interactions on the optical properties of the selected subsystems of crystalline urea., Chem. Phys. Lett. 406 (1-3), 29-37 (2005) DOI
  91. W. Bartkowiak, P. Lipkowski, Hydrogen-bond effects on the electronic absorption spectrum and evaluation of nonlinear optical properties of an aminobenzodifuranone derivative that exhibits the largest positive solvatochromism, J. Mol. Model. 11 (4-5), 317-322 (2005) DOI
  92. 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
  93. B. Skwara, W. Bartkowiak, J. Leszczynski, The Influence of Intermolecular Interactions on Second-Order Susceptibilities of Molecular Crystals: Application to the m-Nitroaniline Crystal., Struct. Chem. 15 (5), 363-368 (2004)
  94. J. Sworakowski, S. Nespurek, P. Toman, G. Wang, W. Bartkowiak, Reversible mobility switching in molecular materials controlled by photochromic reactions, Synthetic Metals 147 241-246 (2004) DOI
  95. R. W. Góra, W. Bartkowiak, S. Roszak, J. Leszczynski, Intermolecular interactions in solution: Elucidating the influence of the solvent, J. Chem. Phys. 120 (6), 2802-2813 (2004) DOI
  96. R. Zaleśny, W. Bartkowiak, J. Leszczynski, Theoretical study of the two-photon absorption in photochromic fulgides., J. Lumin. 105 111-116 (2003)
  97. W. Niewodniczański, W. Bartkowiak, J. Leszczynski, Betaine dyes: molecular structure and barriers to internal rotations., Annals Pol. Chem. Soc. 2 894-898 (2003)
  98. 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)
  99. 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)
  100. 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)
  101. R. W. Góra, W. Bartkowiak, S. Roszak, J. Leszczynski, A new theoretical insight into the nature of intermolecular interactions in the molecular crystal of urea., J. Chem. Phys. 117 (3), 1031-1039 (2002) DOI
  102. 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)
  103. G. M. Wójcik, I. Mossakowska, J. Holband, W. Bartkowiak, Atomic thermal motions studied by variable temperature X-ray diffraction and related to non-linear optical properties of crystalline meta-dinitrobenzene., Acta Crystallogr. B B58 998-1004 (2002)
  104. W. A. Sokalski, R. W. Góra, W. Bartkowiak, P. Kobylinski, J. Sworakowski, A. Chyla, J. Leszczynski, New theoretical insight into the thermal cis-trans isomerization of azo compounds: Protonation lowers the activation barrier., J. Chem Phys. 114 (13), 5504-5508 (2001) DOI
  105. 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
  106. K. Matczyszyn, W. Bartkowiak, J. Leszczynski, Influence of the environment on kinetics and electronic structure of asymmetric azobenzene derivatives - experiment and quantum-chemical calculations., J. Mol. Struct. 565-566 53-57 (2001)
  107. W. Bartkowiak, K. Strasburger, J. Leszczynski, Studies of molecular hyperpolarizabilities (beta, gamma) for 4-nitroaniline (PNA). The application of quantum mechanical/Langevin dipoles/ Monte Carlo (QM/LM/MC) and sum-over-orbitals (SOO) methods., J. Mol. Struct. 549 159-163 (2001)
  108. W. Bartkowiak, Theoretical study of hyperpolarizabilities of aminobenzodifuranone., Synthetic Met. 109 109-111 (2000)
  109. W. Bartkowiak, J. Lipiński, Ciagle i dyskretne modele rozpuszczalnika w badaniach struktury elektronowej., Wiad. Chem. 54 185-202 (2000)
  110. W. Bartkowiak, T. Misiaszek, Solvent effect on static vibrational and electronic contribution of first-order hyperpolarizability of pi-conjugated push-pull molecules: quantum-chemical calculation., Chem. Phys. 261 353-357 (2000)
  111. J. Lipiński, W. Bartkowiak, Conformation and solvent dependence of the first and second molecular hyperpolarizabilities of charge-transfer chromophores. Quantum-chemical calculations., Chem. Phys. 245 263-276 (1999)
  112. W. Bartkowiak, J. Lipiński, Solvent effect on the nonlinear optical properties of para-nitroaniline studied by Langevin dipoles-Monte Carlo (LD/MC) approach., Comput. Chem. 22 31- 37 (1998)
  113. W. Bartkowiak, J. Lipiński, Finite-field calculations of the second-order hyperpolarizabilities gamma of molecules in solutions., Chem. Phys. Lett. 292 92-96 (1998)
  114. W. Bartkowiak, J. Lipiński, Conformation and solvent dependence of the first molecular hyperpolarizability of pyridinum-N-phenoxide betaine dyes. Quantum chemical calculations., J. Phys. Chem. A 102 5236-5240 (1998)
  115. J. Lipiński, W. Bartkowiak, Solvent effect on the electronic structure of molecules studies by the Langevin dipoles / Monte Carlo approach., J. Phys. Chem. A. 101 2159-2165 (1997)
  116. W. Bartkowiak, J. Lipiński, Studies of the solvent effect on the molecular hyperpolarisabilities of organic molecules., Adv. Mater. Opt. Electr. 6 248-254 (1996)
  117. A. Lewanowicz, R. Siedlecka, W. Bartkowiak, F. Hamzaoui, Sulphur-containing compounds: structure, spectra, non-linearity. Experimental and theoretical study., Adv. Mater. Opt. Electr. 6 225-232 (1996)

Tematy prac dyplomowych i badawczych (Research topics for students)

  1. Formalizm funkcji Greena w opisie przewodnictwa elektrycznego pojedynczych molekuł.
  2. Obliczenia przekrojów czynnych na absorpcje dwufotonowa w ramach formalizmu teorii funkcjonałów gęstości.
  3. Rola efektu tunelowego w przewodnictwie organicznych materiałów molekularnych.