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Słowo kluczowe Molecules
A theoretical study on the gas phase reactions of the anions NbO3-, NbO5-, and NbO2(OH)2- with H2O and O2.
Sambrano J. R., Gracia L., Andrés Juan, Berski Sławomir, Beltrán A.
Deoligomerization by cocomplexation: syntheses and structures of aluminium-calcium alkoxides and aryloxides.
Utko Józef, Ejfler Jolanta, Szafert Sławomir, John Łukasz, Jerzykiewicz Lucjan B., Sobota Piotr
Dielectric dispersion in water + 2-hydroxypyridine solid mixtures.
Szala Agnieszka, Orzechowski Kazimierz
Edge decoration of anthracene switches global diatropic current that controls the acene reactivity
Dutta Arnab, Stawski Wojciech, Kijewska Monika, Pawlicki Miłosz
Elusive cyanoform: computational probing its stability and reactivity with accurate ab initio methods.
Szczepaniak Marek, Moc Jerzy
Hybrid Cu-containing compounds based on lacunary Strandberg anions: synthesis under mild conditions, crystal structure, and magnetic properties.
Buvailo Halyna I., Makhankova Valeriya G., Kokozay Vladimir N., Babaryk Artem A., Omelchenko Irina V., Shishkina Svitlana V., Bieńko Dariusz C., Jezierska Julia, Bieńko Alina
N-activated 1,3-benzoxazine monomer as a key agent in polybenzoxazine synthesis.
Trybuła Danuta, Marszałek-Harych Aleksandra, Gazińska Małgorzata, Berski Sławomir, Jędrzkiewicz Dawid, Ejfler Jolanta
Synthesis and structure of [2 x 2] molecular grid copper(II) and nickel(II) complexes with a new polydentate oxime-containing Schiff base ligand.
Moroz Yurii S., Kulon Kinga, Haukka Matti, Gumienna-Kontecka Elżbieta, Kozłowski Henryk, Meyer Franc, Fritsky Igor O.
The joint use of catastrophe theory and electron localization function to characterize molecular mechanisms. A density functional study of the Diels-Alder reaction between ethylene and 1,3-butadiene.
Berski Sławomir, Andrés Juan, Silvi Bernard, Domingo Luis R.
Zeolite-supported palladium tetramer and its reactivity toward H2 molecules: computational studies.
Moc Jerzy, Musaev D. G., Morokuma K.