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Autor publikacji Krzysztof Mierzwicki
Photoinduced double proton transfer in the glyoxal-methanol complex along T1 reaction path – a quantum chemical topological study.
Bil Andrzej, Kochman Michał Andrzej, Mierzwicki Krzysztof
The mechanism of the ozonolysis on the surface of C70 fullerene : the electron localizability indicator study.
Bil Andrzej, Mierzwicki Krzysztof
Clustering of sulfamic acid : ESI MS and theoretical study.
Pszona Maria, Haupa Karolina, Bil Andrzej, Mierzwicki Krzysztof, Szewczuk Zbigniew, Mielke Zofia
Effects of xenon insertion into hydrogen bromide. Comparison of the electronic structure of the HBr···CO2 and HXeBr···CO2 complexes using quantum chemical topology methods: electron localization function, atoms in molecules and symmetry adapted perturbation theory.
Makarewicz Emilia, Gordon Agnieszka J., Mierzwicki Krzysztof, Latajka Zdzisław, Berski Sławomir
Homoleptic aminophenolates of Zn, Mg and Ca. Synthesis, structure, DFT studies and polymerization activity in ROP of lactides.
Wojtaszak Jakub, Mierzwicki Krzysztof, Szafert Sławomir, Gulia Nurbey, Ejfler Jolanta
Investigations of the very short hydrogen bond in the crystal of nitromalonamide via Car–Parrinello and path integral molecular dynamics.
Durlak Piotr, Mierzwicki Krzysztof, Latajka Zdzisław
Matrix-isolated hydrogen-bonded and Van der Waals complexes of hydrogen peroxide with OCS and CS2.
Grzechnik Katarzyna, Mierzwicki Krzysztof, Mielke Zofia
OH-induced oxidative cleavage of dimethyl disulfide in the presence of NO.
Bil Andrzej, Grzechnik Katarzyna, Mierzwicki Krzysztof, Mielke Zofia
AIM and ELF analysis of the H-, Me-, and F-substituted FeIII-TAML complexes.
Mierzwicki Krzysztof, Berski Sławomir, Latajka Zdzisław
CH stretching vibration of N-methylformamide as a sensitive probe of its complexation: infrared matrix isolation and computational study.
Sałdyka Magdalena, Mielke Zofia, Mierzwicki Krzysztof, Coussan Stéphane, Roubin P.
Computational and experimental studies into NMR characterization of [2+2] cycloaddition products of norbornene.
Mierzwicki Krzysztof, Rzepecka Ewa, Czeluśniak Izabela, Szymańska-Buzar Teresa
Nature of bonding in substituted polyacetylene: a combined AIM-ELF analysis.
Durlak Piotr, Mierzwicki Krzysztof, Latajka Zdzisław, Ratajczak Henryk
Theoretical study on the polarizability and hyperpolarizability of hydrogen bonded complexes of nitropyridines with hydrogen fluoride.
Dopieralski Przemysław, Panek Jarosław, Mierzwicki Krzysztof, Latajka Zdzisław, Ratajczak Henryk, Barnes Austin J.
Homo- and heteroleptic zinc aminophenolates as initiators for lactide polymerization.
Ejfler Jolanta, Szafert Sławomir, Mierzwicki Krzysztof, Jerzykiewicz Lucjan B., Sobota Piotr
Structural role of hydrogen bond networks in amino acid-acid systems. (I) The network with highly polarizable OHO hydrogen bonds in sarcosine-methanesulfonic acid (2:1) crystal.
Ilczyszyn Marek, Chwaleba Dorota, Mierzwicki Krzysztof, Ilczyszyn Maria M.
Structure, spectra and stability of a tetrafluoromethane-water complex.
Mierzwicki Krzysztof, Mielke Zofia, Sałdyka Magdalena, Coussan Stéphane, Roubin P.
The protocovalent N—O bond: quantum chemical topology (QCT of ELF and ELI-D) study on the bonding in the nitrous acid H—O—N=O and its relevancy to the experiment.
Berski Sławomir, Mierzwicki Krzysztof, Bil Andrzej, Latajka Zdzisław
13C chemical shift tensors of hyrogen bonded amino acids: relations between experimental and calculated results.
Ilczyszyn Marek, Godzisz Dorota, Ilczyszyn Maria M., Mierzwicki Krzysztof
The complexes between CH3OH and CF4. Infrared matrix isolation and theoretical studies.
Mielke Zofia, Coussan Stéphane, Mierzwicki Krzysztof, Roubin P., Sałdyka Magdalena
Trapping the dirhenium alkynyl Fischer type carbene through Michael addition. Unexpected room-temperature E/Z isomerization of (CO)5Re(CO)4Re(=C(OMe)CH=C(NMe2)TMS.
Osowska Karolina, Mierzwicki Krzysztof, Szafert Sławomir
Trimers and tetramers of MH and MH3 (M=Al.,Ga): theoretical study.
Moc Jerzy, Bober Karolina, Mierzwicki Krzysztof
Molecular modeling study of leflunomide and its active metabolite analogues.
Panek Jarosław, Jezierska Aneta, Mierzwicki Krzysztof, Latajka Zdzisław, Koll Aleksander
Theoretical studies of cooperativity effects in the ternary complexes of nitrous acid with ammonia water.
Olbert-Majkut Adriana, Mierzwicki Krzysztof, Mielke Zofia
Experimental and theoretical study of the photophysics and structures of europium cryptates incorporating 3,3'-bi-isoquinoline-2,2'-dioxide.
Gawryszewska Paula, Malta Oscar L., Longo Ricardo L., Silva F. R. G. e, Alves S., Mierzwicki Krzysztof, Latajka Zdzisław, Pietraszkiewicz M., Legendziewicz Janina
Hydrogin bonding in allene complexes with nitric and nitrous acids: theoretical and infrared matrix isolation study.
Krajewska Magdalena, Latajka Zdzisław, Mielke Zofia, Mierzwicki Krzysztof, Olbert-Majkut Adriana, Sałdyka Magdalena
Basis set superposition error in N-body clusters.
Mierzwicki Krzysztof, Latajka Zdzisław
Crystal structure and bonding properties of Li2I(OH).
Gajewski Grzegorz, Mierzwicki Krzysztof, Latajka Zdzisław
The first structurally characterized nonorganometallic titanium(III) alkoxo-bridged dinuclear complexes.
Utko Józef, Przybylak Szymon, Jerzykiewicz Lucjan B., Mierzwicki Krzysztof, Latajka Zdzisław, Sobota Piotr
Nonadditivity of interaction in Li(NH3)n and Li(NH3)n+ (n=1–4) clusters
Mierzwicki Krzysztof, Latajka Zdzisław
Basis set superposition error in calculations of nonadditive effects in Li(NH3)n and Li(NH3)n+ (n=1–4) clusters
Mierzwicki Krzysztof, Latajka Zdzisław
Nature of chemical bonds in MCCH(M=Li, Na, K) based on the topological analysis of electron localisation function (ELF) and electron density.
Mierzwicki Krzysztof, Berski Sławomir, Latajka Zdzisław