Ludwik Komorowski, Prof.

A3/315
071 320 39 37
071 320 33 64
ludwik.komorowski@pwr.wroc.pl
http://komorowski.ch.pwr.wroc.pl/

Research profile

Physical and theoretical chemistry: chemical applications of the Density Functional Theory. Electronegativity and chemical hardness of bonded atoms and chemical groups as the guiding parameters for the chemical reactivity. Analysis of the effect of coupling between molecular vibrations and deformations of the electronic structure. Important phenomena where this effect is evident are: (i) vibrational frequencies in molecules adsorbed on solid surfaces; (ii) proton motion within the hydrogen bond; (iii) activation energy on the reaction trajectory.

Publications

  1. W. Beker, A. Stachowicz-Kuśnierz, J. Zaklika, A. Ziobro, P. Ordon, L. Komorowski, Atomic polarization justified Fukui indices and the affinity indicators in aromatic heterocycles and nucleobases, Computational and Theoretical Chemistry (1065), 42–49 (2015) DOI
  2. M. Jędrzejewski , P. Ordon, L. Komorowski, Variation of the electronic dipole polarizability on the reaction path, J Mol Model 19 4203–4207 (2013) DOI
  3. W. Beker, P. Szarek, L. Komorowski, J. Lipiński, Reactivity Patterns of Imidazole, Oxazole, and Thiazole As Reflected by the Polarization Justified Fukui Functions, J. Phys. Chem. A 117 1596−1600 (2013) DOI
  4. P. Szarek, L. Komorowski, Modeling the electron density kernels., Journal of Computational Chemistry 32 (8), 1721-1724 (2011) DOI
  5. L. Komorowski, J. Lipiński, P. Szarek, P. Ordon, Polarization justified Fukui functions : the theory and applications for molecules, Journal of Chemical Physics 135 (1), 014109-1-014109 (2011) DOI
  6. P. Szarek, L. Komorowski, J. Lipiński, Fukui Functions for Atoms and Ions: Polarizability Justified Approach, International Journal of Quantum Chemistry 110 2315–2319 (2010) DOI
  7. L. Komorowski, J. Lipiński, P. Szarek, Polarization Justified Fukui Functions, Journal of Chemical Physics 131 (12), 124120 (2009) DOI
  8. P. Ordon, L. Komorowski, DFT Energy Derivatives and Their Renormalization in Molecular Vibrations, Int. J. Quant. Chem. 101 (6), 703-713 (2005) DOI
  9. L. Komorowski, P. Ordon, Anharmonicity of a Molecular Oscillator, Int. J. Quant. Chem. 99 153-160 (2004)
  10. L. Komorowski, P. Ordon, Fluctuations in electronegativity and global hardness induced by molecular vibrations, Journal of Molecular Structure (Theochem) 630 25-32 (2003) DOI
  11. L. Komorowski, P. Ordon, DFT Analysis of Fluctuations in Electronegativity and Hardness of a Molecular Oscillator, Int. J. Quant. Chem. 91 398-403 (2003)
  12. L. Komorowski, P. Ordon, Vibrational softening of diatomic molecules, Theor. Chem. Acc. 105 (338-344), (2001) DOI
  13. M. Komorowska, J. Lamperski, L. Komorowski, Near- infrared-induced proton transfer studied by electron spin resonance., Chem. Phys. 244 101-109 (1999)
  14. R. Balawender, L. Komorowski, Atomic Fukui function indices and local softness ab initio, J. Chem. Phys. 109 (13), 5203-5211 (1998) DOI
  15. R. Balawender, L. Komorowski, F. De Proft, P. Geerlings, Derivatives of Molecular Valence as a Measure of Aromaticity, J. Phys. Chem. A 102 9912-9917 (1998) DOI
  16. P. Ordon, L. Komorowski, Nuclear reactivity and nuclear stiffness in density functional theory, Chem. Phys. Lett. 292 22-27 (1998)
  17. R. Balawender, L. Komorowski, F. De Proft, P. Geerlings, Derivatives of molecular valence as a measure of aromacity., J. Phys. Chem. A 102 9912-9917 (1998)
  18. R. Balawender, L. Komorowski, S. Roszak, Acid and basic molecular hardness in LCAO approximation., Int. J. Quantum Chem. 6(3) 499-505 (1997)
  19. J. Lipiński, L. Komorowski, The solvent effect on the electronegativity and hardness of bonded atoms., Chem. Phys. Lett. 262 449-454 (1996)
  20. L. Komorowski, S. L. Boyd, R. J. Boyd, Electronegativity and hardness of disjoint and transferable molecular fragments., J. Phys. Chem. 100 3448-3453 (1996)
  21. R. Balawender, M. Gupta, E. Orgaz, L. Komorowski, Electronic structureofKMgH3, KMgH2F,KMgF3 with perovskite structure., Acta Phys. Polon. A 88 1133-1141 (1995)
  22. L. Komorowski, J. Lipiński, M. Pyka, Electronegativity and hardness of chemical groups., J. Phys. Chem. 97 3166-3170 (1993)
  23. L. Komorowski, J. Lipiński, Quantumchemical electronegativity and hardness indices for bonded atoms., Chem. Phys. 157 45-60 (1991)
  24. L. Komorowski, N. Mirowska, J. Skarżewski, A key to the Open University (in Polish), Wyd. Polit. Wrocl. 157 45-60 (1991)
  25. C. Habben, L. Komorowski, W. Maringgele, A. Meller, K. Niedenzu, Reaction of boron heterocycles with pyrazole., Inorg. Chem. 28 2659-2663 (1989)
  26. L. Komorowski, J. Lipiński, K. Pesz, Possible charge-transfer modified band structure of organic conductors., J. Phys. Chem. Solids 50 337-345 (1989)
  27. L. Komorowski, K. Niedenzu, Reactions of N,N'-dimethylurea with boron-nitrogen., Inorg. Chem. 28 804-806 (1989)
  28. L. Komorowski, K. Niedenzu, New boron-nitrogen analogues of uracil derivatives., Z. Naturforsch. 44b 1421-1426 (1989)
  29. L. Komorowski, J. Lipiński, P. Misiak, M. Pyka, Quantum-mechanical electronegativity and hardness for the molecular systems and the Madelung matrix., Prace Nauk. Inst. Chemii Nieorg. Met. Pierw. Rzadkich Polit. Wrocl. No. 57 Konf. 12 54-64 (1988)
  30. M. K. Das, G. A. L. De, K. D. Edwards, L. Komorowski, J. F. Mariategui, B. W. Miller, M. T. Mojesky, K. Niedenzu, Pyrazaboles of the type RR'B(mi-pz)2BRR' and related studies., Inorg. Chem. 27 3085-3089 (1988)
  31. L. Komorowski, Electronegativity and hardness in the chemical approximation., Chem. Phys. 114 55 (1987)
  32. L. Komorowski, Empirical evaluation of chemical hardness., Chem. Phys. Lett. 134 536-540 (1987)
  33. L. Komorowski, Chemical hardness and L.Pauling`s scale of electronegativity., Z. Naturforsch. 42a 1-7 (1987)
  34. L. Komorowski, M. Pyka, Lattice energy of the mixed system n-methylphenazinum /phenazine/ TCNQ., Materials Sci. 13 117-120 (1987)
  35. L. Komorowski, J. Lipiński, Polarization of molecular ions in NaTCNQ and TTF.TCNQ crystals., Mol. Cryst. Liq. Cryst. 120 187-190 (1985)
  36. L. Komorowski, Soliton quenching in the one-dimensional Ising system., Mol. Cryst. Liq. Cryst. 120 191-194 (1985)
  37. H. Chabasinska, L. Komorowski, R. Wycisk, Interaction between TCNQ - radical - ion and neutral tetracyanoquinodimethane (TCNQ) in tetrahydrofuran., Polish J. Chem. 58 1193-1197 (1984)
  38. L. Komorowski, Magnetic susceptibility of n-alkyl-triphenylphosphonium tetracyanoquinodimethanides., Materials Sci. 10 125-128 (1984)
  39. L. Komorowski, Calculation of the charge-transfer in ion-radical salts., J.Phys. (France) 44 C3-1211-1214 (1983)
  40. L. Komorowski, G. Malachowicz, Crystallization of the TCNQ salts from acetonitrile in the presence of association equilibria., J.Phys. (France) 44 C3-1207-1209 (1983)
  41. L. Komorowski, Fractionally charged ions in crystal lattices of organic ion-radical salts., Chem. Phys. 76 31-43 (1983)
  42. L. Komorowski, Electronegativity through the energy function., Chem. Phys. Lett. 103 201-204 (1983)
  43. L. Komorowski, Magnetic doublet states in quasi-1D-tetracyanoquinodimethanides., J.Phys. (France) 44 C3-1593-1596 (1983)
  44. L. Komorowski, A. Chyla, R. Kowal, Phase transition in n-alkyltriphenyl-phosphonium tetracyanoquinodimethanides., Phys. Stat. Sol. (a) 74 453-457 (1982)
  45. G. Malachowicz, L. Komorowski, Association equilibria in acetonitrile solution of tetracyanoquinodimethanides., Chem. Phys. Lett. 92 663-666 (1982)
  46. L. Komorowski, Numerical approach to the band structure in TCNQ stack., Phys. Stat. Sol. (b) 111 443-447 (1982)
  47. L. Komorowski, Kinetic effect on the magnetic susceptibility of tetracyanoquinodimethanides., Materials Sci. 7 207-211 (1981)
  48. J. Lipiński, L. Komorowski, A. Chyla, How does the electronic structure of the TCNQ stack depend on its charge?, Materials Sci. 7 235-238 (1981)
  49. D. P. Emerick, L. Komorowski, J. Lipiński, F. C. Nahm, K. Niedenzu, Boron-nitrogen compounds. 83. Experimental and theoretical studies on monomeric iminoboranes., Z. anorg. allg. Chem. 468 44-54 (1980)
  50. L. Komorowski, Chemistry and properties of 1,3,2-diazaboracycloalkanes (in Polish)., Wiadomosci Chem. 34 375-393 (1980)
  51. L. Komorowski, J. Lipiński, K. Niedenzu, The electronic structure of 1,8,10,9-triazaboradecalin., Z. anorg. allg. Chem. 451 115-122 (1979)
  52. L. Komorowski, R. Kowal, S. Jerzak, S. Waplak, ESR study on alkyl(triphenyl)phosphonium tetracyanoquinodimethanides., Potsdamer Forsch. B20 141-145 (1979)
  53. D. P. Emerick, L. Komorowski, K. Niedenzu, Boron-nitrogen compounds.LXXVII. The reactions of (dimethylamino)diethylborane with 3,3-diaminodipropylamine., J. Organomet. Chem. 154 147-150 (1978)
  54. L. Komorowski, K. Niedenzu, Boron-nitrogen compounds. LXX. Boron derivatives of 3,3-diaminodipropylamine., J. Organomet. Chem. 149 141-148 (1978)
  55. K. D. Muller, L. Komorowski, K. Niedenzu, Some studies on (1-imidazolyl)diorganylboranes., Synth. React. Inorg. Met. Org. Chem. 8 149-155 (1978)
  56. K. Niedenzu, K. D. Muller, W. J. Layton, L. Komorowski, Bor-Stickstoff-Verbindungen. LXVIII. Kernresonanzspektroskopische Untersuchungen an 1,3,2-diazaboracycloalkanen und Phenylboranderivaten., Z. anorg. allg. Chem. 439 112-120 (1978)
  57. L. Komorowski, A. Krajewska, K. Pigoń, Phase diagram and electrical conductivity in the binary system: picric acid - o-bromoaniline., Mol. Cryst. Liq. Cryst. 36 337-348 (1976)
  58. K. Pigoń, L. Komorowski, A. Krajewska, Electric conductivity of complex isomers., Sci. Papers Inst. Org. Phys. Chem. Tech. Univ. Wroclaw 7 308-312 (1974)

Tematy prac dyplomowych i badawczych (Research topics for students)

  1. Widma oscylacyjne cząsteczek adsorbowanych na stałych powierzchniach.