검색결과 : 9건
No. | Article |
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1 |
Bond Softening Indices Studied by the Fragility Spectra for Proton Migration in Formamide and Related Structures Ordon P, Zaklika J, Jedrzejewski M, Komorowski L Journal of Physical Chemistry A, 124(2), 328, 2020 |
2 |
The Connectivity Matrix: A Toolbox for Monitoring Bonded Atoms and Bonds Ordon P, Komorowski L, Jedrzejewski M, Zaklika J Journal of Physical Chemistry A, 124(6), 1076, 2020 |
3 |
Bond Fragility Spectra for the Double Proton-Transfer Reaction in the Formic Acid-Type Dimers Zaklika J, Komorowski L, Ordon P Journal of Physical Chemistry A, 123(19), 4274, 2019 |
4 |
Atomic Resolution for the Energy Derivatives on the Reaction Path Jedrzejewski M, Ordon P, Komorowski L Journal of Physical Chemistry A, 120(21), 3780, 2016 |
5 |
Reactivity Patterns of Imidazole, Oxazole, and Thiazole As Reflected by the Polarization Justified Fukui Functions Beker W, Szarek P, Komorowski L, Lipinski J Journal of Physical Chemistry A, 117(7), 1596, 2013 |
6 |
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 Journal of Physical Chemistry B, 112(51), 16734, 2008 |
7 |
Atomic Fukui function indices and local softness ab initio Balawender R, Komorowski L Journal of Chemical Physics, 109(13), 5203, 1998 |
8 |
Derivatives of molecular valence as a measure of aromaticity Balawender R, Komorowski L, De Proft F, Geerlings P Journal of Physical Chemistry A, 102(48), 9912, 1998 |
9 |
Electronegativity and Hardness of Disjoint and Transferable Molecular Fragments Komorowski L, Boyd SL, Boyd RJ Journal of Physical Chemistry, 100(9), 3448, 1996 |