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Słowo kluczowe DFT calculation
Alkynol polymerization catalysed by Grubbs-type and Hoveyda-Grubbs ruthenium alkylidene complexes: a computational study.
Śliwa Paweł, Handzlik Jarosław, Czeluśniak Izabela
Catalytic transformation of phenylacetylene mediated by phosphine-free ruthenium alkylidene complexes.
Czeluśniak Izabela, Handzlik Jarosław, Gierada Maciej, Szymańska-Buzar Teresa
Conformational isomerism of pyridoxal : infrared matrix isolation and theoretical studies.
Kwiatek Anna, Mielke Zofia
Experimental and theoretical study of the IR spectrum of [(CH2OH)3CNH3]2SiF6 crystal.
Podsiadła D., Czupiński Olaf, Rospenk Maria, Czapla Zbigniew
Extremely different structures and vibrational spectra of tetramethylpyrazine nitrate dihydrate in solid and solutions.
Sobczyk Lucjan, Pawlukojć Andrzej, Grech Eugeniusz, Huczyński Adam, Brzeziński Bogumił
H-bonded supramolecular synthon induced magnetic superexchange phenomenon results weak ferromagnetic and strong antiferromagnetic interactions in two new copper-orotate coordination network.
Yadav Archana, Lama Prem, Bieńko Alina, Bieńko Dariusz, Siddiqui Kafeel Ahmad
H-Ge bond activation by tungsten carbonyls: an experimental and theoretical study.
Handzlik Jarosław, Kochel Andrzej, Szymańska-Buzar Teresa
Laser induced multi-component luminescence of [CuNCS(1,10-phen)P(CH2N(CH2CH2)2O)3]–the first example of CuNCS complexes with diimines and tris(aminomethyl)phosphanes.
Starosta Radosław, Komarnicka Urszula K., Sobczyk Marcin, Barys Maciej
Mixed-valence outer-sphere RuII/RuIII ion-pair complexes. Synthesis, experimental, and theoretical studies.
Impert Olga, Kozakiewicz-Piekarz Anna, Katafias Anna, Witwicki Maciej, Komarnicka Urszula K., Kurpiewska Katarzyna, van Eldik Rudi
One-pot synthesis, crystal structure and theoretical calculations of a dinuclear Mn(III) complex with in-situ generated O,N,O- and O,N-donor dichelating hydrazone ligand.
Pousaneh Elaheh, Sadighian Somayeh, Bikas Rahman, Hosseini-Monfared Hassan, Sousaraei Ahmad, Siczek Miłosz, Lis Tadeusz
Raman spectroscopy of acetic acid monomer and dimers isolated in solid argon.
Olbert-Majkut Adriana, Ahokas Jussi M. E., Lundell Jan, Pettersson Mika
Secondary isotope effects on13C and15N chemical shifts of Schiff bases revisited.
Filarowski Aleksander, Hansen Poul Erik
Self-association of N,N'-dialkylthiourea derivatives in non-polar solvents.
Obrzud Monika H., Rospenk Maria, Koll Aleksander
Spectroscopic investigation and DFT modelling studies of Eu 3+ complex with 1-(2,6-dihydroxyphenyl)ethanone.
Hanuza Jerzy, Ptak Maciej, Lisiecki Radosław, Kwocz Agnieszka, Kucharska Edyta, Ryba-Romanowski Witold, Mączka Mirosław, Hermanowicz Krzysztof, Macalik Lucyna
Structural characterization of derivatives of 4-methylcoumarin : theoretical and experimental studies.
Drzewiecka Aleksandra, Kozioł Anna E., Struga Marta, Ruiz Tomas Pena, Gomez Manuel Fernandez, Lis Tadeusz
Structural, spectroscopic and magnetic properties of Mn(II), Co(II) and Ni(II) complexes with 2-hydroxy-6-methylpyridine ligand.
Małecki Jan G., Mroziński Jerzy, Michalik K.
Two novel rhenium complexes derived from [ReO(OMe)Cl2(dpphen)]- synthesis, crystal structure, spectroscopic and magnetic properties.
Machura Barbara, Wolff M., Gryca I., Mroziński Jerzy
Vibrational and thermodynamic properties and molecular motions in the incommensurate crystal of morpholinium tetrafluoroborate studied by 1 H NMR.
Owczarek Magdalena T., Jakubas Ryszard, Bator Grażyna , Pawlukojć Andrzej, Baran Jan, Przesławski Janusz, Medycki Wojciech
Vibrational spectroscopic, optical and thermal properties of a deuterated ferroic crystal, [(CH2OD)3CND3]2SiF6—An experimental and theoretical study.
Podsiadła D., Czupiński Olaf, Rospenk Maria, Kosturek Bogdan
Vibrational, structural and theoretical studies of potassium DL-phenylglycinate.
Ilczyszyn Maria M., Lis Tadeusz, Wierzejewska Maria, Zatajska M.
Well-controlled, zinc-catalyzed synthesis of low molecular weight oligolactides by ring opening reaction.
Jędrzkiewicz Dawid, Czeluśniak Izabela, Wierzejewska Maria, Szafert Sławomir, Ejfler Jolanta