Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Stanislava Šoralová"'
Autor:
Denisa Tarabová, Stanislava Šoralová, Martin Breza, Marek Fronc, Wolfgang Holzer, Viktor Milata
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 10, Iss 1, Pp 752-760 (2014)
Activated enol ethers derived from esters or the dinitrile of malonic acid, or from pentane-2,4-dione were treated with hydrazine hydrate. The structures of the obtained products – pyrazoles 5 – were studied with a focus on tautomerism and supram
Externí odkaz:
https://doaj.org/article/4fa1a2fa4d7f4f7fbf8fd5de69ab53bc
Autor:
Michal Šoral, Dana Dvoranová, Tibor Liptaj, Ján Moncol, Stanislava Šoralová, Andrej Chyba, Dušan Berkeš, Jana Doháňošová, Jozef Markus
Publikováno v:
Journal of Molecular Structure. 1128:230-238
Acid-catalyzed cyclization of spirocyclic 1′-benzyl-2′-(prop-2-en-1-yl)spiro[indole-3,3′-pyrrolidine]-5′-one (1) was performed. The pentacyclic product of Povarov-like imino-Diels-Alder reaction was isolated in high yield instead of expected
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::26b34b9154d0a9af56d5cb897b0af7fc
https://doi.org/10.1016/j.molstruc.2016.08.014
https://doi.org/10.1016/j.molstruc.2016.08.014
Publikováno v:
Chemical Physics. 460:56-63
MP2 calculations of [ML4]q complexes with central atoms M = Pb, Sn or Ge in +II and +IV oxidation states and a series of simple anionic and neutral ligands L, q being the charge of the complex, were performed. Their geometries were optimized in groun
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2ff09a8adaee8f99588bb96141c39313
https://doi.org/10.1016/j.chemphys.2015.07.014
https://doi.org/10.1016/j.chemphys.2015.07.014
Autor:
Martin Breza, Ján Moncol, Stanislava Šoralová, Petra Polakovičová, Zdeňka Padělková, Jerzy Mroziński, Tadeusz Lis, Peter Segľa, Vladimír Kuchtanin, Jozef Švorec
Publikováno v:
Polyhedron. 81:216-226
The synthesis, spectral and magnetic properties, crystal and electronic structures of five dimeric copper(II) carboxylates, [Cu2(2-tpc)4(H2O)2] (1), [Cu2(2-tpc)4(DMSO)2] (2) (where 2-tpc is 2-thiophenecarboxylate and DMSO is dimethylsulfoxide), [Cu2(
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ff6bab949b4cef833d5f8f1fcd7e7456
https://doi.org/10.1016/j.poly.2014.05.071
https://doi.org/10.1016/j.poly.2014.05.071
Autor:
Jozef Kozisek, Peter Machata, Karol Lušpai, Lukas Bucinsky, Stanislava Šoralová, Peter Herich, Martin Breza, Peter Rapta
Publikováno v:
Organometallics. 33:4846-4859
The redox properties of copper, nickel, and cobalt complexes (MePh3P)[M(bdt)2] with the ligand benzene-1,2-dithiolate (bdt) and synthesized complexes (MePh3P)[M(bdtCl2)2] with the ligand 3,6-dichlorobenzene-1,2-dithiolate (bdtCl2) have been studied b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::04f1d3211f2d3e4722fcc1a4bdbcedce
https://doi.org/10.1021/om5000584
https://doi.org/10.1021/om5000584
Publikováno v:
Chemical Physics Letters. 580:141-144
UV–Vis spectra of camptothecin (CPT) in toluene, acetone, ethanol, acetonitrile, dimethylsulfoxide and aqueous solutions are investigated by UV–Vis spectroscopy and DFT calculations. The structures of CPT and its π-dimer have been optimized usin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cf9f59a0e520dab5c2b7aa3ecb28181e
https://doi.org/10.1016/j.cplett.2013.07.001
https://doi.org/10.1016/j.cplett.2013.07.001
Autor:
Stanislava Šoralová, Martin Breza
Publikováno v:
Solid State Communications. 151:1920-1923
The method for exchange coupling parameter J calculations using a broken-symmetry treatment is extended to three-dimensional periodic DFT calculations for three antiferromagnetic polymorphic forms of Cu(pca)2, pca = pyridine-2-carboxylate. The calcul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::89dec21d53616fd3d51e43e7873a5996
https://doi.org/10.1016/j.ssc.2011.09.021
https://doi.org/10.1016/j.ssc.2011.09.021
Publikováno v:
Polyhedron. 30:307-314
The structure of a series of [M(bdt)2]q complexes, M = Cu, Ni or Co, bdt = benzene-1,2-dithiolate, q = −1, −2 or −3 with up to two unpaired electrons, has been optimized at B3LYP/6-311G* level of theory as the 6-31G* basis incorrectly produces
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::09e760eb81f1257ab5a085cad579d810
https://doi.org/10.1016/j.poly.2010.10.016
https://doi.org/10.1016/j.poly.2010.10.016
Autor:
Stanislava Šoralová, Martin Breza
Publikováno v:
Polyhedron. 29:2440-2444
The geometry of bis(pyridine-2-carboxylato-N,O)-copper(II) complex is optimized at B3LYP/6-311G∗ level of theory and compared with experimental data. Comparing the electronic structure of this complex with that of its anionic ligand does not indica
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9cd9e68bb47862911cfa306e2be66e7e
https://doi.org/10.1016/j.poly.2010.05.016
https://doi.org/10.1016/j.poly.2010.05.016
Publikováno v:
Chemical Physics. 368:14-19
In order to explain the difference between high-symmetric holodirected and less-symmetric hemidirected Pb(II) compounds, the structures of [PbF 4 ] 2− , [PbCl 4 ] 2− and [Pb(OH) 4 ] 2− have been optimized without any symmetry restrictions and/o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f2f75a64ba3fed8b222407785cc597ba
https://doi.org/10.1016/j.chemphys.2009.12.003
https://doi.org/10.1016/j.chemphys.2009.12.003