Komorowski L - Search Results

1

The amino group in adenine: MP2 and CCSD(T) complete basis set limit calculations of the planarization barrier and DFT/B3LYP study of the anharmonic frequencies of adenine.

Zierkiewicz W, Komorowski L, Michalska D, Cerny J, Hobza P. Zierkiewicz W, et al. Among authors: komorowski l. J Phys Chem B. 2008 Dec 25;112(51):16734-40. doi: 10.1021/jp8058118. J Phys Chem B. 2008. PMID: 19367910

2

Reactivity patterns of imidazole, oxazole, and thiazole as reflected by the polarization justified Fukui functions.

Beker W, Szarek P, Komorowski L, Lipiński J. Beker W, et al. Among authors: komorowski l. J Phys Chem A. 2013 Feb 21;117(7):1596-600. doi: 10.1021/jp309390j. Epub 2013 Jan 31. J Phys Chem A. 2013. PMID: 23327161

3

Atomic Resolution for the Energy Derivatives on the Reaction Path.

Jędrzejewski M, Ordon P, Komorowski L. Jędrzejewski M, et al. Among authors: komorowski l. J Phys Chem A. 2016 Jun 2;120(21):3780-7. doi: 10.1021/acs.jpca.6b03408. Epub 2016 May 23. J Phys Chem A. 2016. PMID: 27187521

4

The reaction fragility spectrum.

Komorowski L, Ordon P, Jędrzejewski M. Komorowski L, et al. Phys Chem Chem Phys. 2016 Dec 7;18(48):32658-32663. doi: 10.1039/c6cp06519h. Phys Chem Chem Phys. 2016. PMID: 27892571

5

Bond Fragility Spectra for the Double Proton-Transfer Reaction in the Formic Acid-Type Dimers.

Zaklika J, Komorowski L, Ordon P. Zaklika J, et al. Among authors: komorowski l. J Phys Chem A. 2019 May 16;123(19):4274-4283. doi: 10.1021/acs.jpca.9b00595. Epub 2019 May 7. J Phys Chem A. 2019. PMID: 31008601

6

Bond Softening Indices Studied by the Fragility Spectra for Proton Migration in Formamide and Related Structures.

Ordon P, Zaklika J, Jędrzejewski M, Komorowski L. Ordon P, et al. Among authors: komorowski l. J Phys Chem A. 2020 Jan 16;124(2):328-338. doi: 10.1021/acs.jpca.9b09426. Epub 2020 Jan 3. J Phys Chem A. 2020. PMID: 31815477

7

The Connectivity Matrix: A Toolbox for Monitoring Bonded Atoms and Bonds.

Ordon P, Komorowski L, Jędrzejewski M, Zaklika J. Ordon P, et al. Among authors: komorowski l. J Phys Chem A. 2020 Feb 13;124(6):1076-1086. doi: 10.1021/acs.jpca.9b10145. Epub 2020 Feb 3. J Phys Chem A. 2020. PMID: 31962040

8

Modeling the electron density kernels.

Szarek P, Komorowski L. Szarek P, et al. Among authors: komorowski l. J Comput Chem. 2011 Jun;32(8):1721-4. doi: 10.1002/jcc.21754. Epub 2011 Feb 15. J Comput Chem. 2011. PMID: 21328410

9

Polarization justified Fukui functions: the theory and applications for molecules.

Komorowski L, Lipiński J, Szarek P, Ordon P. Komorowski L, et al. J Chem Phys. 2011 Jul 7;135(1):014109. doi: 10.1063/1.3603449. J Chem Phys. 2011. PMID: 21744890

10

Polarization justified Fukui functions.

Komorowski L, Lipiński J, Szarek P. Komorowski L, et al. J Chem Phys. 2009 Sep 28;131(12):124120. doi: 10.1063/1.3239503. J Chem Phys. 2009. PMID: 19791865

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