| 1 |
Substituent Effect on Conformational Preferences in Ground and Excited States of Selected Schiff Bases: An Insight from Theoretical Calculations
Kukulka M, Srebro-Hooper M, Mitoraj MP
Journal of Physical Chemistry A, 124(1), 63, 2020 |
| 2 |
Kinetic and Potential Energy Contributions to a Chemical Bond from the Charge and Energy Decomposition Scheme of Extended Transition State Natural Orbitals for Chemical Valence
Sagan F, Mitoraj MP
Journal of Physical Chemistry A, 123(21), 4616, 2019 |
| 3 |
Quasi-aromatic Mobius Metal Chelates
Mahmoudi G, Afkhami FA, Castineiras A, Garcia-Santos I, Gurbanov A, Zubkov FI, Mitoraj MP, Kukulka M, Sagan F, Szczepanik DW, Konyaeva IA, Safin DA
Inorganic Chemistry, 57(8), 4395, 2018 |
| 4 |
Ligand-Driven Coordination Sphere-Induced Engineering of Hybride Materials Constructed from PbCl2 and Bis-Pyridyl Organic Linkers for Single-Component Light-Emitting Phosphors
Mahmoudi G, Gurbanov AV, Rodriguez-Hermida S, Carballo R, Amini M, Bacchi A, Mitoraj MP, Sagan F, Kukulka M, Safin DA
Inorganic Chemistry, 56(16), 9698, 2017 |
| 5 |
Origin of Remarkably Different Acidity of Hydroxycoumarins-Joint Experimental and Theoretical Studies
Nowak PM, Sagan F, Mitoraj MP
Journal of Physical Chemistry B, 121(17), 4554, 2017 |
| 6 |
Multiple Boron-Boron Bonds in Neutral Molecules: An Insight from the Extended Transition State Method and the Natural Orbitals for Chemical Valence Scheme
Mitoraj MP, Michalak A
Inorganic Chemistry, 50(6), 2168, 2011 |
| 7 |
QTAIM and ETS-NOCV Analyses of Intramolecular CH center dot center dot center dot HC Interactions in Metal Complexes
Cukrowski I, Govender KK, Mitoraj MP, Srebro M
Journal of Physical Chemistry A, 115(45), 12746, 2011 |
| 8 |
Bonding in Ammonia Borane: An Analysis Based on the Natural Orbitals for Chemical Valence and the Extended Transition State Method (ETS-NOCV)
Mitoraj MP
Journal of Physical Chemistry A, 115(51), 14708, 2011 |
| 9 |
sigma-Donor and pi-Acceptor Properties of Phosphorus Ligands: An Insight from the Natural Orbitals for Chemical Valence
Mitoraj MP, Michalak A
Inorganic Chemistry, 49(2), 578, 2010 |
| 10 |
Theoretical Analysis of the Resonance Assisted Hydrogen Bond Based on the Combined Extended Transition State Method and Natural Orbitals for Chemical Valence Scheme
Kurczab R, Mitoraj MP, Michalak A, Ziegler T
Journal of Physical Chemistry A, 114(33), 8581, 2010 |
