Michalak A - Search Results

1

Sterically less-hindered half-titanocene(IV) phenoxides: ancillary-ligand effect on mono-, bis-, and tris(2-alkyl-/arylphenoxy) titanium(IV) chloride complexes.

Kim TJ, Kim SK, Kim BJ, Son HJ, Hahn JS, Cheong M, Mitoraj M, Srebro M, Piekoś Ł, Michalak A, Kang SO. Kim TJ, et al. Among authors: michalak a. Chemistry. 2010 May 17;16(19):5630-44. doi: 10.1002/chem.201000191. Chemistry. 2010. PMID: 20391583

2

DFT studies on isomerization reactions in the copolymerization of ethylene and methyl acrylate catalyzed by Ni-diimine and Pd-diimine complexes.

Mitoraj M, Michalak A. Mitoraj M, et al. Among authors: michalak a. J Mol Model. 2005 Sep;11(4-5):341-50. doi: 10.1007/s00894-005-0253-x. Epub 2005 May 4. J Mol Model. 2005. PMID: 15871035

3

Natural orbitals for chemical valence as descriptors of chemical bonding in transition metal complexes.

Mitoraj M, Michalak A. Mitoraj M, et al. Among authors: michalak a. J Mol Model. 2007 Feb;13(2):347-55. doi: 10.1007/s00894-006-0149-4. Epub 2006 Sep 21. J Mol Model. 2007. PMID: 17024408

4

1,3 Geminal interactions as the possible trend setting factors for C-H and C-C bond energies in alkanes. Support from a density functional theory based bond energy decomposition study.

Mitoraj M, Zhu H, Michalak A, Ziegler T. Mitoraj M, et al. Among authors: michalak a. J Org Chem. 2006 Nov 24;71(24):9208-11. doi: 10.1021/jo061658j. J Org Chem. 2006. PMID: 17109549

5

Bond orbitals from chemical valence theory.

Michalak A, Mitoraj M, Ziegler T. Michalak A, et al. J Phys Chem A. 2008 Mar 6;112(9):1933-9. doi: 10.1021/jp075460u. Epub 2008 Feb 12. J Phys Chem A. 2008. PMID: 18266342

6

Applications of natural orbitals for chemical valence in a description of bonding in conjugated molecules.

Mitoraj M, Michalak A. Mitoraj M, et al. Among authors: michalak a. J Mol Model. 2008 Aug;14(8):681-7. doi: 10.1007/s00894-008-0276-1. Epub 2008 Feb 16. J Mol Model. 2008. PMID: 18278526

7

Theoretical analysis of bonding in N-heterocyclic carbene-rhodium complexes.

Srebro M, Michalak A. Srebro M, et al. Among authors: michalak a. Inorg Chem. 2009 Jun 15;48(12):5361-9. doi: 10.1021/ic900336r. Inorg Chem. 2009. PMID: 19400577

8

Theoretical description of bonding in cis-W(CO)(4)(piperidine)(2) and its dimer.

Mitoraj MP, Michalak A. Mitoraj MP, et al. Among authors: michalak a. J Mol Model. 2010 Feb;16(2):337-42. doi: 10.1007/s00894-009-0545-7. Epub 2009 Jul 15. J Mol Model. 2010. PMID: 19603204

9

Sigma-donor and pi-acceptor properties of phosphorus ligands: an insight from the natural orbitals for chemical valence.

Mitoraj MP, Michalak A. Mitoraj MP, et al. Among authors: michalak a. Inorg Chem. 2010 Jan 18;49(2):578-82. doi: 10.1021/ic901736n. Inorg Chem. 2010. PMID: 20014798

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. Kurczab R, et al. Among authors: michalak a. J Phys Chem A. 2010 Aug 26;114(33):8581-90. doi: 10.1021/jp911405e. J Phys Chem A. 2010. PMID: 20099799

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