Ludwik Komorowski, Prof. PhD, DSc
Faculty, Komorowski Group
Email: | ludwik.komorowski@pwr.edu.pl |
Office: | A3 / 315 |
Phone: | +48 71 320 3937 |
Selected PapersPapers
(1)
Ordon, P.; Komorowski, L.; Jedrzejewski, M. Conceptual DFT analysis of the fragility spectra of atoms along the minimum energy reaction coordinate. J. Chem. Phys. 2017, 147 (13), 134109. https://doi.org/10.1063/1.4995028.
(1)
Komorowski, L.; Ordon, P.; Jędrzejewski, M. The Reaction Fragility Spectrum. Phys. Chem. Chem. Phys. 2016. https://doi.org/10.1039/C6CP06519H.
(1)
Jędrzejewski, M.; Ordon, P.; Komorowski, L. Atomic Resolution for the Energy Derivatives on the Reaction Path. The Journal of Physical Chemistry A 2016, 120 (21), 3780–3787. https://doi.org/10.1021/acs.jpca.6b03408.
(1)
Beker, W.; Stachowicz-Kuśnierz, A.; Zaklika, J.; Ziobro, A.; Ordon, P.; Komorowski, L. Atomic polarization justified Fukui indices and the affinity indicators in aromatic heterocycles and nucleobases. Comp. Theo. Chem. 2015, 1065, 42–49. https://doi.org/10.1016/j.comptc.2015.04.023.
(1)
Jędrzejewski, M.; Ordon, P.; Komorowski, L. Variation of the electronic dipole polarizability on the reaction path. J. Mol. Model. 2013, 19 (10), 4203–4207. https://doi.org/10.1007/s00894-013-1812-1.
(1)
Beker, W.; Szarek, P.; Komorowski, L.; Lipiński, J. Reactivity Patterns of Imidazole, Oxazole, and Thiazole As Reflected by the Polarization Justified Fukui Functions. J. Phys. Chem. A 2013, 117 (7), 1596–1600. https://doi.org/10.1021/jp309390j.
(1)
Szarek, P.; Komorowski, L. Modeling the electron density kernels. J. Comput. Chem. 2011, 32 (8), 1721–1724. https://doi.org/10.1002/jcc.21754.
(1)
Komorowski, L.; Lipiński, J.; Szarek, P.; Ordon, P. Polarization justified Fukui functions: The theory and applications for molecules. The Journal of Chemical Physics 2011, 135 (1), 014109. https://doi.org/10.1063/1.3603449.
(1)
Szarek, P.; Komorowski, L.; Lipiński, J. Fukui functions for atoms and ions: Polarizability justified approach. Int. J. Quantum Chem. 2010, 110 (12), 2315–2319. https://doi.org/10.1002/qua.22606.
(1)
Komorowski, L.; Lipiński, J.; Szarek, P. Polarization justified Fukui functions. The Journal of Chemical Physics 2009, 131 (12), 124120. https://doi.org/10.1063/1.3239503.
(1)
Ordon, P.; Komorowski, L. DFT energy derivatives and their renormalization in molecular vibrations. Int. J. Quantum Chem. 2005, 101 (6), 703–713. https://doi.org/10.1002/qua.20327.
(1)
Komorowski, L.; Ordon, P. Anharmonicity of a molecular oscillator. Int. J. Quantum Chem. 2004, 99 (3), 153–160. https://doi.org/10.1002/qua.20130.
(1)
Komorowski, L.; Ordon, P. Fluctuations in electronegativity and global hardness induced by molecular vibrations. Journal of Molecular Structure: THEOCHEM 2003, 630 (1–3), 25–32. https://doi.org/10.1016/S0166-1280(03)00166-0.
(1)
Komorowski, L.; Ordon, P. DFT analysis of fluctuations in electronegativity and hardness of a molecular oscillator. Int. J. Quantum Chem. 2003, 91 (3), 398–403. https://doi.org/10.1002/qua.10447.
(1)
Komorowski, L.; Ordon, P. Vibrational softening of diatomic molecules. Theor Chem Acc 2001, 105 (4–5), 338–344. https://doi.org/10.1007/s002140000244.
(1)
Ordon, P.; Komorowski, L. Nuclear reactivity and nuclear stiffness in density functional theory. Chemical Physics Letters 1998, 292 (1–2), 22–27. https://doi.org/10.1016/S0009-2614(98)00645-9.
(1)
Balawender, R.; Komorowski, L.; De Proft, F.; Geerlings, P. Derivatives of Molecular Valence as a Measure of Aromaticity. J. Phys. Chem. A 1998, 102 (48), 9912–9917. https://doi.org/10.1021/jp982447o.
(1)
Balawender, R.; Komorowski, L. Atomic Fukui function indices and local softness ab initio. The Journal of Chemical Physics 1998, 109 (13), 5203. https://doi.org/10.1063/1.477137.
(1)
Balawender, R.; Komorowski, L.; Roszak, S. Acidic and basic molecular hardness in LCAO approximation. Int. J. Quantum Chem. 1997, 61 (3), 499–505. https://doi.org/10.1002/(SICI)1097-461X(1997)61:3<499::AID-QUA17>3.0.CO;2-4.
(1)
Lipiński, J.; Komorowski, L. The solvent effect on the electronegativity and hardness of bonded atoms. Chemical Physics Letters 1996, 262 (3–4), 449–454. https://doi.org/10.1016/0009-2614(96)01066-4.
(1)
Komorowski, L.; Boyd, S. L.; Boyd, R. J. Electronegativity and Hardness of Disjoint and Transferable Molecular Fragments. J. Phys. Chem. 1996, 100 (9), 3448–3453. https://doi.org/10.1021/jp951982a.
(1)
Komorowski, L.; Lipinski, J.; Pyka, M. J. Electronegativity and hardness of chemical groups. J. Phys. Chem. 1993, 97 (13), 3166–3170. https://doi.org/10.1021/j100115a018.
(1)
Komorowski, L.; Lipiński, J. Quantumchemical electronegativity and hardness indices for bonded atoms. Chemical Physics 1991, 157 (1), 45–60. https://doi.org/10.1016/0301-0104(91)87129-J.
(1)
Komorowski, L. Empirical evaluation of chemical hardness. Chem. Phys. Lett. 1987, 134 (6), 536–540. https://doi.org/10.1016/0009-2614(87)87188-9.
(1)
Komorowski, L. Electronegativity and hardness in the chemical approximation. Chem. Phys. 1987, 114 (1), 55–71. https://doi.org/10.1016/0301-0104(87)80019-8.
(1)
Komorowski, L. Chemical Hardness and L. Pauling's Scale of Electronegativity. Zeitschrift für Naturforschung A 1987, 42 (7), 767–773. https://doi.org/10.1515/zna-1987-0718.
(1)
Komorowski, L. Electronegativity through the energy function. Chemical Physics Letters 1983, 103 (3), 201–204. https://doi.org/10.1016/0009-2614(83)80381-9.
(1)
Komorowski, L. Fractionally charged ions in crystal lattices of organic ion-radical salts. Chem. Phys. 1983, 76 (1), 31–43. https://doi.org/10.1016/0301-0104(83)85048-4.
(1)
Ordon, P.; Komorowski, L.; Jedrzejewski, M. Conceptual DFT analysis of the fragility spectra of atoms along the minimum energy reaction coordinate. J. Chem. Phys. 2017, 147 (13), 134109. https://doi.org/10.1063/1.4995028.
(1)
Komorowski, L.; Ordon, P.; Jędrzejewski, M. The Reaction Fragility Spectrum. Phys. Chem. Chem. Phys. 2016. https://doi.org/10.1039/C6CP06519H.
(1)
Jędrzejewski, M.; Ordon, P.; Komorowski, L. Atomic Resolution for the Energy Derivatives on the Reaction Path. The Journal of Physical Chemistry A 2016, 120 (21), 3780–3787. https://doi.org/10.1021/acs.jpca.6b03408.
(1)
Beker, W.; Stachowicz-Kuśnierz, A.; Zaklika, J.; Ziobro, A.; Ordon, P.; Komorowski, L. Atomic polarization justified Fukui indices and the affinity indicators in aromatic heterocycles and nucleobases. Comp. Theo. Chem. 2015, 1065, 42–49. https://doi.org/10.1016/j.comptc.2015.04.023.
(1)
Jędrzejewski, M.; Ordon, P.; Komorowski, L. Variation of the electronic dipole polarizability on the reaction path. J. Mol. Model. 2013, 19 (10), 4203–4207. https://doi.org/10.1007/s00894-013-1812-1.
(1)
Beker, W.; Szarek, P.; Komorowski, L.; Lipiński, J. Reactivity Patterns of Imidazole, Oxazole, and Thiazole As Reflected by the Polarization Justified Fukui Functions. J. Phys. Chem. A 2013, 117 (7), 1596–1600. https://doi.org/10.1021/jp309390j.
(1)
Szarek, P.; Komorowski, L. Modeling the electron density kernels. J. Comput. Chem. 2011, 32 (8), 1721–1724. https://doi.org/10.1002/jcc.21754.
(1)
Komorowski, L.; Lipiński, J.; Szarek, P.; Ordon, P. Polarization justified Fukui functions: The theory and applications for molecules. The Journal of Chemical Physics 2011, 135 (1), 014109. https://doi.org/10.1063/1.3603449.
(1)
Szarek, P.; Komorowski, L.; Lipiński, J. Fukui functions for atoms and ions: Polarizability justified approach. Int. J. Quantum Chem. 2010, 110 (12), 2315–2319. https://doi.org/10.1002/qua.22606.
(1)
Komorowski, L.; Lipiński, J.; Szarek, P. Polarization justified Fukui functions. The Journal of Chemical Physics 2009, 131 (12), 124120. https://doi.org/10.1063/1.3239503.
(1)
Ordon, P.; Komorowski, L. DFT energy derivatives and their renormalization in molecular vibrations. Int. J. Quantum Chem. 2005, 101 (6), 703–713. https://doi.org/10.1002/qua.20327.
(1)
Komorowski, L.; Ordon, P. Anharmonicity of a molecular oscillator. Int. J. Quantum Chem. 2004, 99 (3), 153–160. https://doi.org/10.1002/qua.20130.
(1)
Komorowski, L.; Ordon, P. Fluctuations in electronegativity and global hardness induced by molecular vibrations. Journal of Molecular Structure: THEOCHEM 2003, 630 (1–3), 25–32. https://doi.org/10.1016/S0166-1280(03)00166-0.
(1)
Komorowski, L.; Ordon, P. DFT analysis of fluctuations in electronegativity and hardness of a molecular oscillator. Int. J. Quantum Chem. 2003, 91 (3), 398–403. https://doi.org/10.1002/qua.10447.
(1)
Komorowski, L.; Ordon, P. Vibrational softening of diatomic molecules. Theor Chem Acc 2001, 105 (4–5), 338–344. https://doi.org/10.1007/s002140000244.
(1)
Komorowska, M.; Lamperski, J.; Komorowski, L. Near-infrared-induced proton transfer studied by electron spin resonance. Chemical Physics 1999, 244 (1), 101–109. https://doi.org/10.1016/S0301-0104(99)00075-0.
(1)
Ordon, P.; Komorowski, L. Nuclear reactivity and nuclear stiffness in density functional theory. Chemical Physics Letters 1998, 292 (1–2), 22–27. https://doi.org/10.1016/S0009-2614(98)00645-9.
(1)
Balawender, R.; Komorowski, L.; De Proft, F.; Geerlings, P. Derivatives of Molecular Valence as a Measure of Aromaticity. J. Phys. Chem. A 1998, 102 (48), 9912–9917. https://doi.org/10.1021/jp982447o.
(1)
Balawender, R.; Komorowski, L. Atomic Fukui function indices and local softness ab initio. The Journal of Chemical Physics 1998, 109 (13), 5203. https://doi.org/10.1063/1.477137.
(1)
Balawender, R.; Komorowski, L.; Roszak, S. Acidic and basic molecular hardness in LCAO approximation. Int. J. Quantum Chem. 1997, 61 (3), 499–505. https://doi.org/10.1002/(SICI)1097-461X(1997)61:3<499::AID-QUA17>3.0.CO;2-4.
(1)
Lipiński, J.; Komorowski, L. The solvent effect on the electronegativity and hardness of bonded atoms. Chemical Physics Letters 1996, 262 (3–4), 449–454. https://doi.org/10.1016/0009-2614(96)01066-4.
(1)
Komorowski, L.; Boyd, S. L.; Boyd, R. J. Electronegativity and Hardness of Disjoint and Transferable Molecular Fragments. J. Phys. Chem. 1996, 100 (9), 3448–3453. https://doi.org/10.1021/jp951982a.
(1)
Balawender, R.; Gupta, M.; Orgaz, E.; Komorowski, L. Electronic structure of kmgh3, kmgh2f, kmvigf3 with the perovskite structure. Acta Phys. Polon. A 1995, 88, 1133–1141.
(1)
Komorowski, L.; Lipinski, J.; Pyka, M. J. Electronegativity and hardness of chemical groups. J. Phys. Chem. 1993, 97 (13), 3166–3170. https://doi.org/10.1021/j100115a018.
(1)
Komorowski, L.; Lipiński, J. Quantumchemical electronegativity and hardness indices for bonded atoms. Chemical Physics 1991, 157 (1), 45–60. https://doi.org/10.1016/0301-0104(91)87129-J.
(1)
Komorowski, L.; Mirowska, N.; Skarżewski, J. A Key to the Open University (in Polish). Wyd. Polit. Wrocl. 1991, 157, 45–60.
(1)
Komorowski, L.; Lipiński, J.; Pesz, K. Possible charge-transfer modified band structure of organic conductors. Journal of Physics and Chemistry of Solids 1989, 50 (4), 337–345. https://doi.org/10.1016/0022-3697(89)90431-9.
(1)
Komorowski, L.; Niedenzu, K. Reactions of N,N'-dimethylurea with boron-nitrogen compounds. Inorg. Chem. 1989, 28 (4), 804–806. https://doi.org/10.1021/ic00303a039.
(1)
Habben, C.; Komorowski, L.; Maringgele, W.; Meller, A.; Niedenzu, K. Reactions of boron heterocycles with pyrazole. Inorg. Chem. 1989, 28 (13), 2659–2663. https://doi.org/10.1021/ic00312a031.
(1)
Niedenzu, K.; Komorowski, L. New Boron-Nitrogen Analogues of Uracil Derivatives. Z. Naturforsch. 1989, 44b, 1421–1426.
(1)
Komorowski, L.; Lipiński, J.; Misiak, P.; Pyka, M. J. Quantum-Mechanical Electronegativity and Hardness for the Molecular Systems and the Madelung Matrix. Prace Nauk. Inst. Chemii Nieorg. Met. Pierw. Rzadkich Polit. Wrocl. 1988, 57, 54–64.
(1)
Das, M. K.; DeGraffenreid, A. L.; Edwards, K. D.; Komorowski, L.; Mariategui, J. F.; Miller, B. W.; Mojesky, M. T.; Niedenzu, K. Pyrazaboles of the type RR'B (mu-pz) 2BRR'and related studies. Inorg. Chem. 1988, 27 (18), 3085–3089.
(1)
Komorowski, L. Empirical evaluation of chemical hardness. Chem. Phys. Lett. 1987, 134 (6), 536–540. https://doi.org/10.1016/0009-2614(87)87188-9.
(1)
Komorowski, L. Electronegativity and hardness in the chemical approximation. Chem. Phys. 1987, 114 (1), 55–71. https://doi.org/10.1016/0301-0104(87)80019-8.
(1)
Komorowski, L. Chemical Hardness and L. Pauling's Scale of Electronegativity. Zeitschrift für Naturforschung A 1987, 42 (7), 767–773. https://doi.org/10.1515/zna-1987-0718.
(1)
Komorowski, L.; Pyka, M. J. Lattice Energy of the Mixed System N-Methylphenazinum /Phenazine/ TCNQ. Mater. Sci-Pol 1987, 13, 117–120.
(1)
Komorowski, L. Soliton Quenching in the One-Dimensional Ising System. Mol. Cryst. Liq. Cryst. 1985, 120 (1), 191–194. https://doi.org/10.1080/00268948508075786.
(1)
Komorowski, L.; Lipinski, J. Polarization of Molecular ions in NaTCNQ and TTF. TCNQ Crtstals. Mol. Cryst. Liq. Cryst. 1985, 120 (1), 187–190. https://doi.org/10.1080/00268948508075785.
(1)
Komorowski, L. Magnetic Susceptibility of N-Alkyl-Triphenylphosphonium Tetracyanoquinodimethanides. Mater. Sci-Pol 1984, 125–128.
(1)
Chabasińska, H.; Komorowski, L.; Wycisk, R. Interaction between TCNQ (.-) radical-ion and neutral tetracyanoquinodimethane (TCNQ) in tetrahydrofuran /. Polish J. Chem. 1984, 58, 1193–1197.
(1)
Komorowski, L. Electronegativity through the energy function. Chemical Physics Letters 1983, 103 (3), 201–204. https://doi.org/10.1016/0009-2614(83)80381-9.
(1)
Komorowski, L. Calculation of the charge transfer in ion-radical salts. J. Phys. Coll. 1983, 44 (C3), 1211–1214. https://doi.org/10.1051/jphyscol/1983166.
(1)
Komorowski, L. Crystallization of tcnq salts from acetonitryle in the presence of association equilibria. J. Phys. Coll. 1983, 44 (C3), 1207–1209. https://doi.org/10.1051/jphyscol/1983165.
(1)
Komorowski, L. Fractionally charged ions in crystal lattices of organic ion-radical salts. Chem. Phys. 1983, 76 (1), 31–43. https://doi.org/10.1016/0301-0104(83)85048-4.
(1)
Komorowski, L.; Chyla, A.; Kowal, R. Phase Transitions in N-Alkyltriphenylphosphonium Tetracyanoquinodimethanides. Phys. Stat. Sol. A 1982, 74 (2), 453–457. https://doi.org/10.1002/pssa.2210740210.
(1)
Małachowicz, G.; Komorowski, L. Association equlibria in acetonitrile solution of tetracyanoquinodimethanides. Chem. Phys. Lett. 1982, 92 (6), 663–666. https://doi.org/10.1016/0009-2614(82)83670-1.
(1)
Komorowski, L. Numerical Approach to the Band Structure in TCNQ Stack. Phys. Stat. Sol. B 1982, 111 (2), 443–447. https://doi.org/10.1002/pssb.2221110203.
(1)
Lipiński, J.; Komorowski, L.; Chyla, A. How Does the Electronic Structure of the TCNQ Stack Depend on Its Charge?, Materials Sci. 7 235-238 (1981). 1981, 7, 235–238.
(1)
Komorowski, L. Kinetic Effect on the Magnetic Susceptibility of Tetracyanoquinodimethanides. Mater. Sci-Pol 1981, 7, 207–211.
(1)
Emerick, D. P.; Nahm, F. C.; Niedenzu, K.; Komorowski, L.; Lipiński, J. Boron-Nitrogen Compounds, 83. Experimental and Theoretical Studies on Monomeric Iminoboranes. Z. Anorg. Allg. Chem. 1980, 468 (1), 44–54. https://doi.org/10.1002/zaac.19804680107.