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. 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
  2. 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)
  3. A. Zawada, W. Bartkowiak, Many-body interactions and the electric response of hydrogen-bonded molecular chains, Computational and Theoretical Chemistry 967 120-128 (2011)
  4. 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)
  5. 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
  6. 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
  7. 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
  8. 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
  9. 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)
  10. 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
  11. 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)
  12. 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)
  13. 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)
  14. 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
  15. 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
  16. 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)
  17. U. Oleksińska, M. M. Mikołajczyk, W. Bartkowiak, Transport nośników ładunku w DNA, Prace Naukowe Studentów Wydziału Chemicznego Politechniki Wrocławskiej 7 101-106 (2009)
  18. 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)
  19. W. Bartkowiak, (ed.) Special Issue: 11th International Conference on Electrical and Related Properties of Organic Solids (ERPOS 11), Materials Science-Poland 27 (3), (2009)
  20. 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)
  21. 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)
  22. 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)
  23. 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
  24. 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
  25. 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)
  26. 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)
  27. 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
  28. 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
  29. 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)]
  30. 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)
  31. 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)
  32. 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)
  33. 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
  34. 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)
  35. 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
  36. 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)
  37. 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
  38. 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
  39. 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
  40. 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
  41. 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
  42. W. Bartkowiak, S. Roszak, Special Issue: In Honor of Henryk Chojnacki. On the Occasion of His Seventieth Birthday, Structural Chemistry 15 349 (2005)
  43. 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
  44. 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)
  45. 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
  46. 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)
  47. 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
  48. P. Toman, S. Nespurek, W. Bartkowiak, J. Sworakowski, Excitations in oligosilanes with photochromic side groups, Journal of Luminescence 112 386-390 (2005) DOI
  49. 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
  50. 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
  51. 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
  52. 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
  53. 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
  54. 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)
  55. 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
  56. 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
  57. 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)
  58. W. Niewodniczański, W. Bartkowiak, J. Leszczynski, Betaine dyes: molecular structure and barriers to internal rotations., Annals Pol. Chem. Soc. 2 894-898 (2003)
  59. 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)
  60. R. Zaleśny, W. Bartkowiak, J. Leszczynski, Theoretical study of the two-photon absorption in photochromic fulgides., J. Lumin. 105 111-116 (2003)
  61. 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)
  62. 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
  63. 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)
  64. 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)
  65. 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
  66. 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
  67. 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)
  68. 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)
  69. W. Bartkowiak, Theoretical study of hyperpolarizabilities of aminobenzodifuranone., Synthetic Met. 109 109-111 (2000)
  70. W. Bartkowiak, J. Lipiński, Ciagle i dyskretne modele rozpuszczalnika w badaniach struktury elektronowej., Wiad. Chem. 54 185-202 (2000)
  71. 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)
  72. 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)
  73. 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)
  74. 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)
  75. W. Bartkowiak, J. Lipiński, Finite-field calculations of the second-order hyperpolarizabilities gamma of molecules in solutions., Chem. Phys. Lett. 292 92-96 (1998)
  76. 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)
  77. W. Bartkowiak, J. Lipiński, Studies of the solvent effect on the molecular hyperpolarisabilities of organic molecules., Adv. Mater. Opt. Electr. 6 248-254 (1996)
  78. 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.