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Bond orbitals from chemical valence theory.
Michalak A, Mitoraj M, Ziegler T. Michalak A, et al. Among authors: mitoraj m. 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
Nature of the water/aromatic parallel alignment interactions.
Mitoraj MP, Janjić GV, Medaković VB, Veljković DŽ, Michalak A, Zarić SD, Milčić MK. Mitoraj MP, et al. J Comput Chem. 2015 Jan 30;36(3):171-80. doi: 10.1002/jcc.23783. Epub 2014 Nov 13. J Comput Chem. 2015. PMID: 25393085
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. Cukrowski I, et al. Among authors: mitoraj m. J Phys Chem A. 2014 Jan 23;118(3):623-37. doi: 10.1021/jp410744x. Epub 2014 Jan 9. J Phys Chem A. 2014. PMID: 24377828
63 results