Vibrational properties and DFT calculations of the perovskite metal formate framework of [(CH3)2NH2][Ni(HCOO3)] system by Mączka, M., Zierkiewicz, W., Michalska, D., Hanuza, J.

Get full text

Using Mechanistic and Computational Studies To Explain Ligand Effects in the Palladium-Catalyzed Aerobic Oxidation of Alcohols by Schultz, Mitchell J, Adler, Ryan S, Zierkiewicz, Wiktor, Privalov, Timofei, Sigman, Matthew S

Get full text

DFT Analysis of Copper(II) Complexes of cis-1,2-Diaminocyclohexane (Dach), [Cu(Dach)2(N3)]Cl·3H2O and [Cu(Dach)2-Ag(CN)2-Cu(Dach)2][Ag(CN)2]3 by Nawaz, S., Zierkiewicz, W., Michalczyk, M., Ghaffar, A., Jabeen, F., Ahmad, S.

Get full text

Crystal Structure of [Pd(Imt)4]Cl2 and DFT Studies of [Pd(Imt)4]Cl2 and [Pd(Imt)2(CN)2] (Imt = Imidazolidine-2-Thione) by Sadaf, H., Zierkiewicz, W., Michalczyk, M., Ahmad, S., Imtiaz-ud-Din, Tahir, M. Nawaz, Isab, A. A., Al-Arfaj, A. R., Nadeem, S.

Get full text

Unusual Noncovalent Interaction Between the Chelated Cu(II) Ion and the π Bond in the Vitamin B13 Complex, cis-Diammine(orotato)copper(II): Theoretical and Vibrational Spectroscopy... by Helios, K, Wysokiński, R, Zierkiewicz, W, Proniewicz, L. M, Michalska, D

Get full text

Synthesis, Characterization, and DFT Investigation of a Zinc(II)–Silver(I) Bimetallic Complex, [Zn(Dmen)2{Ag(CN)2}2][Zn(Dmen)2(H2O)2]{Ag(CN)2}2 (Dmen = N,N′-Dimethylethylenediamine... by Monim-ul-Mehboob, M., Ramzan, M., Zierkiewicz, W., Michalczyk, M., Mahmood, R., Altaf, M., Nadeem, S., Akhtar, M., Ahmad, S.

Get full text

Electronic structures, vibrational spectra, and revised assignment of aniline and its radical cation: Theoretical study by Wojciechowski, Piotr M., Zierkiewicz, Wiktor, Michalska, Danuta, Hobza, Pavel

Get full text

On Differences between Hydrogen Bonding and Improper Blue-Shifting Hydrogen Bonding by Zierkiewicz, Wiktor, Jurečka, Petr, Hobza, Pavel

Get full text

A Theoretical Study of the Essential Role of DMSO as a Solvent/Ligand in the Pd(OAc)2/DMSO Catalyst System for Aerobic Oxidation by Zierkiewicz, Wiktor, Privalov, Timofei

Get full text

Thiocyanate copper complexes with pyrazole-derived ligands – synthesis, crystal structures, DFT calculations and magnetic properties by Świtlicka, A., Czerwińska, K., Machura, B., Penkala, M., Bieńko, A., Bieńko, D., Zierkiewicz, W.

Get full text

Unusual Noncovalent Interaction Between the Chelated Cu(II) Ion and the π Bond in the Vitamin B 13 Complex, cis -Diammine(orotato)copper(II): Theoretical and Vibrational Spectrosco... by Helios, K., Wysokiński, R., Zierkiewicz, W., Proniewicz, L. M., Michalska, D.

Get full text

Study of the Nature of Improper Blue-Shifting Hydrogen Bonding and Standard Hydrogen Bonding in the X3CH⋅⋅⋅OH2 and XH⋅⋅⋅OH2 Complexes (X=F, Cl, Br, I): A Correlated Ab Initio Study... by Zierkiewicz, Wiktor, Michalska, Danuta, Havlas, Zdenek, Hobza, Pavel

Get full text

Molecular Structures and Infrared Spectra of p-Chlorophenol and p-Bromophenol. Theoretical and Experimental Studies by Zierkiewicz, Wiktor, Michalska, Danuta, Zeegers-Huyskens, Thérèse

Get full text

Molecular Structure and Infrared Spectra of 4-Fluorophenol:  A Combined Theoretical and Spectroscopic Study by Zierkiewicz, Wiktor, Michalska, Danuta, Czarnik-Matusewicz, Bogusłwa, Rospenk, Maria

Get full text

Silver(I) complex with 2-amino-4,4α-dihydro-4α,7-dimethyl-3 H -phenoxazin-3-one (Phx-1) ligand: crystal structure, vibrational spectra and biological studies by Helios, K., Maniak, H., Sowa, M., Zierkiewicz, W., Wąsińska-Kałwa, M., Giurg, M., Drożdżewski, P., Trusek-Hołownia, A., Malik, M., Krauze, K.

Get full text

Silver(I) complex with 2-amino-4,4[alpha]-dihydro-4[alpha],7-dimethyl-3H-phenoxazin-3-one (Phx-1) ligand: crystal structure, vibrational spectra and biological studies by Helios, K, Maniak, H, Sowa, M, Zierkiewicz, W, Wasinska-Kalwa, M, Giurg, M, Drozdzewski, P, Trusek-Holownia, A, Malik, M, Krauze, K

Get full text

A computational study of oxidation of ruthenium porphyrins via ORuIV and (ORuO)-O-VI species by Zierkiewicz, W., Privalov, Timofei

Get full text

Silver(I) complex with 2-amino-4,4α-dihydro-4α,7-dimethyl-3H-phenoxazin-3-one (Phx-1) ligand: crystal structure, vibrational spectra and biological studies by Helios, K., Maniak, H., Sowa, M., Zierkiewicz, W., Wąsińska-Kałwa, M., Giurg, M., Drożdżewski, P., Trusek-Hołownia, A., Malik, M., Krauze, K.

Get full text

“Troublesome” Vibrations of Aromatic Molecules in Second-Order Möller−Plesset and Density Functional Theory Calculations:  Infrared Spectra of Phenol and Phenol-OD Revisited... by Michalska, Danuta, Zierkiewicz, Wiktor, Bieńko, Dariusz C, Wojciechowski, Walter, Zeegers-Huyskens, Thérèse

Get full text

A theoretical study of the essential role of DMSO as a solvent/ligand in the Pd(OAc)(2)/DMSO catalyst system for aerobic oxidation by Zierkiewicz, W., Privalov, Timofei

Get full text