| 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 |
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 |
| 3 |
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 |
| 4 |
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 |
| 5 |
Car-Parrinello molecular dynamics study of anharmonic systems: A Mannich base in solution
Jezierska A, Panek J, Borstnik U, Mavri J, Janezic D
Journal of Physical Chemistry B, 111(19), 5243, 2007 |
| 6 |
Density functional calculation of the 2D potential surface and deuterium isotope effect on C-13 chemical shifts in picolinic acid N-oxide. Comparison with experiment
Stare J, Jezierska A, Ambrozic G, Kosir IJ, Kidric J, Koll A, Mavri J, Hadzi D
Journal of the American Chemical Society, 126(13), 4437, 2004 |
