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Słowo kluczowe density functional calculations
1-D Framework L-arginine zinc(II) units bridged by oxalate: synthesis, structure, properties, and theoretical studies.
Wojciechowska Agnieszka, Kochel Andrzej, Zierkiewicz Wiktor
Charge density distribution in aminomethylphosphonic acid.
Janicki Rafał, Starynowicz Przemysław
Comparative study of hydrolytic and electron-driven processes in carboplatin biotransformation.
Kuduk-Jaworska Janina, Jański Jerzy, Roszak Szczepan
Enantiomer resolution of intrinsically chiral C21-alkylated N-confused porphyrin complexes.
Chmielewski Piotr J., Szterenberg Ludmiła, Siczek Marta
Experimental and computational insights into carbon dioxide fixation by RZnOH species.
Sokołowski Kamil, Bury Wojciech, Tulewicz Adam, Cieślak Anna M., Justyniak Iwona, Kubicki Dominik, Krajewska Elżbieta, Milet Anne, Moszyński Robert, Lewiński Janusz
Experimental and DFT characterization of the organic-inorganic monohydrated Co(II) complex with 2,6-diaminopyridine ligand, (C5H8N3)2[CoBr4]·H2O.
Mhadhbi Noureddine, Saïd Salem, Elleuch Slim, Lis Tadeusz, Naïli H.
Family of Mn4IIILn2III (LnIII = SmIII, GdIII, DyIII) coordination clusters : experimental and theoretical investigations.
Modak Ritwik, Sikdar Yeasin, Bieńko Alina, Witwicki Maciej, Jerzykiewicz Maria, Goswami Sanchita
Incorporation of a phenanthrene subunit into a sapphyrin framework: synthesis of expanded aceneporphyrinoids.
Szyszko Bartosz, Małecki Marcin, Berlicka Anna, Białek Michał J., Białońska Agata, Kupietz Kamil, Pacholska-Dudziak Ewa, Latos-Grażyński Lechosław
Influence of methyl and nitro group substitutions on the structure and vibrational characteristics of the hydrazo-bridge in 6,6'-dimethyl-3,3',5,5'-tetranitro-2,2'-hydrazobipyridine.
Kucharska Edyta, Bryndal Iwona, Lis Tadeusz, Lorenc Jadwiga, Hanuza Jerzy
Lanthanide carbonates.
Janicki Rafał, Starynowicz Przemysław, Mondry Anna
Magneto-structural analysis of metal-orotato coordination complexes based on N–H···O and O–H···O supramolecular synthon.
Siddiqui Kafeel Ahmad, Lama Prem, Bieńko Alina, Bieńko Dariusz
Novel Ba(II) and PB(II) coordination polymers based on citric acid : synthesis, crystal structure and DFT studies.
Drzewiecka-Antonik Aleksandra, Kozioł Anna E., Rejmak Paweł, Ławniczak-Jabłońska Krystyna, Nittler Laurent, Lis Tadeusz
On 2:1 melamine—squaric acid dihydrate complex : the structure and vibrational spectra.
Nowicka-Scheibe J., Pawlukojć Andrzej, Sobczyk Lucjan, Jański Jerzy
Oxatriphyrins(2.1.1) incorporating an ortho-phenylene motif.
Pawlicki Miłosz, Garbicz Mateusz, Szterenberg Ludmiła, Latos-Grażyński Lechosław
Palladium (II) complexes with tris(2-carboxyethyl)phosphine, structure, reactions and cytostatic activity.
Pruchnik Hanna, Lis Tadeusz, Latocha Małgorzata, Zielińska Aleksandra, Pruchnik Florian P.
pH-dependent formation of Hg(II)-semiquinone complexes from natural phenols.
Jerzykiewicz Maria, Witwicki Maciej, Jezierska Julia
Równowagi asocjacyjne alkilopochodnych mocznika i tiomocznika = Association equilibria of alkyl derivatives of urea and thiourea.
Rospenk Maria, Koll Aleksander, Obrzud Monika H.
Structure and characterization of physicochemical and magnetic properties of new complex containing monobridged oxygen copper(II) dinuclear cation.
Tesmar Aleksandra, Witwicki Maciej, Wyrzykowski Dariusz, Sikorski Artur, Jacewicz Dagmara, Drzeżdżon Joanna, Chmurzyński Lech
Structure and properties of a new rigid tripodal oxime ligand.
Premužić Dejan, Filarowski Aleksander, Hołyńska Małgorzata
Synthesis, characterization and magnetic properties of a dinuclear oxidovanadium(IV) complex : magneto-structural DFT studies on the effects of out-of-plane -OCH3 angle.
Noshiranzadeh Nader, Emami Marzieh, Bikas Rahman, Sanchiz Joaquin, Otręba Marta, Aleshkevych Pavlo, Lis Tadeusz
Synthesis, characterization, and magnetic properties of a series of copper(II) chloride complexes of pyridyliminebenzoic acids.
Buvaylo Elena A., Kokozay Vladimir N., Makhankova Valeriya G., Melnyk Andrii K., Korabik Maria, Witwicki Maciej, Skelton Brian W., Vassilyeva Olga Yu.
Synthesis, crystal structures and spectral characterization of imidazo [1,2-a]pyrimidin-2-yl-acetic acid and related analog with imidazo[2,1-b]thiazole ring.
Dylong Agnieszka, Goldeman Waldemar, Sowa Michał, Ślepokura Katarzyna, Drożdżewski Piotr, Matczak-Jon Ewa
Terminal-alkyne-induced decomposition of a phosphine-free ruthenium alkylidene catalyst.
Gierada Maciej, Czeluśniak Izabela, Handzlik Jarosław
The conformational analysis of push-pull enaminones using FTIR and NMR spectroscopy, and quantum chemical calculations. VI. β—N—Methyl-aminovinyl trifluoromethyl ketone and α—methyl—β—N—methylaminovinyl trifluoromethyl ketone.
Vdovenko Sergey I., Gerus Igor I., Zhuk Yuri I., Kukhar Valery P., Pagacz-Kostrzewa Magdalena, Wierzejewska Maria, Daniliuc Constantin-Gabriel
The fold-in approach to bowl-shaped aromatic compounds: synthesis of chrysaoroles.
Myśliwiec Damian, Stępień Marcin
Understanding natural semiquinone radicals–multifrequency EPR and relativistic DFT studies of the structure of Hg(II) complexes.
Witwicki Maciej, Jerzykiewicz Maria, Ozarowski Andrew
Vibrational spectroscopic, optical and thermal properties of a hybride pyridazine perchlorate complex : an experimental and theoretical study.
Podsiadła D., Czupiński Olaf, Rospenk Maria, Czapla Zbigniew