| 1 |
N-oxide Derivatives: Car-Parrinello Molecular Dynamics and Electron Localization Function Study on Intrarnolecular Hydrogen Bonds
Panek JJ, Jezierska A
Journal of Physical Chemistry A, 122(32), 6605, 2018 |
| 2 |
Symmetry-Adapted Perturbation Theory study on interactions between small cycloalkanes
Panek JJ
Chemical Physics Letters, 640, 147, 2015 |
| 3 |
Theoretical study of zeatin - A plant hormone and potential drug for neural diseases - On the basis of DFT, MP2 and target docking
Liu XP, Berezniak T, Panek JJ, Jezierska-Mazzarello A
Chemical Physics Letters, 557, 140, 2013 |
| 4 |
Influence of Environmental Humidity on Organization and Molecular Dynamics of Heteromacrocyclic Assemblies
Paluch P, Kazmierski S, Jeziorna A, Sniechowska J, Dabrowa K, Panek JJ, Jezierska-Mazzarello A, Jurczak J, Potrzebowski MJ
Journal of Physical Chemistry B, 117(46), 14420, 2013 |
| 5 |
Hydrogen Bonding as a Modulator of Aromaticity and Electronic Structure of Selected ortho-Hydroxybenzaldehyde Derivatives
Jezierska-Mazzarello A, Panek JJ, Szatylowicz H, Krygowski TM
Journal of Physical Chemistry A, 116(1), 460, 2012 |
| 6 |
Molecular Property Investigations of an ortho-Hydroxy Schiff Base Type Compound with the First-Principle Molecular Dynamics Approach
Jezierska-Mazzarello A, Vuilleumier R, Panek JJ, Ciccotti G
Journal of Physical Chemistry B, 114(1), 242, 2010 |
| 7 |
Interrelations between the Mesomeric and Electronegativity Effects in Para-Substituted Derivatives of Phenol/Phenolate and Aniline/Anilide H-Bonded Complexes: A DFT-Based Computational Study
Szatylowicz H, Krygowski TM, Jezierska A, Panek JJ
Journal of Physical Chemistry A, 113(19), 5800, 2009 |
| 8 |
Symmetry-adapted perturbation theory study of dimers and water complexes of hypohalous acids HOF, HOCl and HOBr
Panek JJ, Berski S
Chemical Physics Letters, 467(1-3), 41, 2008 |
| 9 |
H-bonded complexes of aniline with HF/F- and anilide with HF in terms of symmetry-adapted perturbation, atoms in molecules, and natural bond orbitals theories
Szatylowicz H, Krygowski TM, Panek JJ, Jezierska A
Journal of Physical Chemistry A, 112(40), 9895, 2008 |
| 10 |
Symmetry-adapted perturbation theory analysis of the N center dot center dot center dot HX hydrogen bonds
Panek JJ, Jezierska A
Journal of Physical Chemistry A, 111(4), 650, 2007 |
