화학공학소재연구정보센터
검색결과 : 9건
No. Article
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