| 1 |
Physical Nature of Interactions in Zn-II Complexes with 2,2'-Bipyridyl: Quantum Theory of Atoms in Molecules (QTAIM), Interacting Quantum Atoms (IQA), Noncovalent Interactions (NCI), and Extended Transition State Coupled with Natural Orbitals for Chemical Valence (ETS-NOCV) Comparative Studies
Cukrowski I, de Lange JH, Mitoraj M
Journal of Physical Chemistry A, 118(3), 623, 2014 |
| 2 |
Formaldehyde activation by Cu(I) and Ag(I) sites in ZSM-5: ETS-NOCV analysis of charge transfer processes
Broclawik E, Zalucka J, Kozyra P, Mitoraj M, Datka J
Catalysis Today, 169(1), 45, 2011 |
| 3 |
Exploring a Reaction Mechanism for Acetato Ligand Replacement in Paddlewheel Tetrakisacetatodirhodium (II,II) Complex by Ammonia: Computational Density Functional Theory Study
Futera Z, Koval T, Leszczynski J, Gu JD, Mitoraj M, Srebro M, Burda JV
Journal of Physical Chemistry A, 115(5), 784, 2011 |
| 4 |
Palladium Catalysts for Dehydrogenation of Ammonia Borane with Preferential B-H Activation
Kim SK, Han WS, Kim TJ, Kim TY, Nam SW, Mitoraj M, Piekos L, Michalak A, Hwang SJ, Kang SO
Journal of the American Chemical Society, 132(29), 9954, 2010 |
| 5 |
Half-Metallocene Titanium(IV) Phenyl Phenoxide for High Temperature Olefin Polymerization: Ortho-Substituent Effect at Ancillary o-Phenoxy Ligand for Enhanced Catalytic Performance
Kim TJ, Kim SK, Kim BJ, Hahn JS, Ok MA, Song JH, Shin DH, Ko J, Cheong M, Kim J, Won H, Mitoraj M, Srebro M, Michalak A, Kang SO
Macromolecules, 42(18), 6932, 2009 |
| 6 |
From Electron Density Flow Towards Activation: Benzene Interacting with Cu(I) and Ag(I) Sites in ZSM-5. DFT Modeling
Kozyra P, Zalucka J, Mitoraj M, Broclawik E, Datka J
Catalysis Letters, 126(3-4), 241, 2008 |
| 7 |
Bond orbitals from chemical valence theory
Michalak A, Mitoraj M, Ziegler T
Journal of Physical Chemistry A, 112(9), 1933, 2008 |
