Jan 18, 2019   0:24 a.m. Bohdana
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Department of Chemical Physics (IPC FCFT) - list of publications


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Number of entries found: 41

PublicationsType of resultYearDetails
A DFT and QTAIM study of the adsorption ability of Cu-decorated circumcoronene
Malček, Michal -- Bučinský, Lukáš -- Cordeiro, Maria Natália Dias Soeiro
A DFT and QTAIM study of the adsorption ability of Cu-decorated circumcoronene. In 7th JCS Symposium, May 21-24, 2018, Prague, Czech Republic. Czech Academy of Science: Prague, 2018.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
A DFT study of NO release in octahedral ruthenium-nitrosyl complexes with 1H-indazole ligands
Malček, Michal -- Bučinský, Lukáš -- Zalibera, Michal -- Rapta, Peter -- Arion, Vladimir B.
A DFT study of NO release in octahedral ruthenium-nitrosyl complexes with 1H-indazole ligands. In ICQC 2018: 16th International Congress of Quantum Chemistry, 18-23 June, 2018, Menton, France. IAQMS: [s.l.], 2018.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
A joint experimental and theoretical study on the electro-optical properties of 1,6- and 1,7-fluorenyl disubstituted perylene diimide isomers
Kozma, Erika -- Mróz, Wojciech -- Eckstein, Anita Andics -- Lukeš, Vladimír -- Galeotti, Francesco -- Šišková, Alena -- Danko, Martin -- Catellani, Marinella
A joint experimental and theoretical study on the electro-optical properties of 1,6- and 1,7-fluorenyl disubstituted perylene diimide isomers. New Journal of Chemistry, 42. p. 1061--1066.
articles in magazines2018Details
B3LYP štúdium para derivátov 3-hydroxynaphthalene-2-karbaxanilidov
Michalík, Martin -- Poliak, Peter -- Lukeš, Vladimír
B3LYP Study of 3-hydroxynaphthalene-2-carboxanilide para-derivatives. Acta Chimica Slovenica, 65. p. 23--33.
articles in magazines2018Details
Conducting electrospun polycaprolactone/polypyrrole fibers
Číková, Eliška -- Mičušík, Matej -- Šišková, Alena -- Procházka, Michal -- Fedorko, Pavol -- Omastová, Mária
Conducting electrospun polycaprolactone/polypyrrole fibers. Synthetic Metals, 235. p. 80--88.
articles in magazines2018Details
Copper(II) Thiosemicarbazone Complexes and Their Proligands upon UVA Irradiation: An EPR and Spectrophotometric Steady-State Study
Hricovíni, Michal -- Mazúr, Milan -- Sirbu, Angela -- Palamarciuc, Oleg -- Arion, Vladimir B. -- Brezová, Vlasta
Copper(II) Thiosemicarbazone Complexes and Their Proligands upon UVA Irradiation: An EPR and Spectrophotometric Steady-State Study. In Molecules. 2018, p. 4.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
Density Functional Study of Radical Scavenging Mechanisms of Selected Carotenoids
Poliak, Peter -- Škorňa, Peter -- Klein, Erik -- Lukeš, Vladimír
Density Functional Study of Radical Scavenging Mechanisms of Selected Carotenoids. In 7th JCS Symposium, May 21-24, 2018, Prague, Czech Republic. Czech Academy of Science: Prague, 2018.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
Density functional theoretical study of the electronic structure and drift mobilities of selective pentacene derivatives
Cagardová, Denisa -- Michalík, Martin -- Poliak, Peter -- Lukeš, Vladimír
Density functional theoretical study of the electronic structure and drift mobilities of selective pentacene derivatives. In 7th JCS Symposium, May 21-24, 2018, Prague, Czech Republic. Czech Academy of Science: Prague, 2018.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
Density meets orbitals
Bučinský, Lukáš
Density meets orbitals. In Sagamore 2018, 8-13 July, Halifax, Nova Scotia, Canada. Halifax: Mount Saint Vincent University, 2018, p. 57. ISBN 978-1-9993894-0-6.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
Density-functional theoretical study of fluorination effect on the electronic structure and electron drift mobilities of symmetric pentacene derivatives
Lukeš, Vladimír -- Cagardová, Denisa -- Michalík, Martin -- Poliak, Peter
Density-functional theoretical study of fluorination effect on the electronic structure and electron drift mobilities of symmetric pentacene derivatives. Synthetic Metals, 240. p. 67--76.
articles in magazines2018Details
Detection of simple inorganic and organic molecules over Cu-decorated circumcoronene: a combined DFT and QTAIM study
Malček, Michal -- Bučinský, Lukáš -- Teixeira, Filipe -- Cordeiro, Maria Natália Dias Soeiro
Detection of simple inorganic and organic molecules over Cu-decorated circumcoronene: a combined DFT and QTAIM study. In Physical Chemistry Chemical Physics. 2018, p. 16021--16032.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
DFT study of the effect of chemical modification on the electronic structure and drift mobilities of selected pentacene and bis-benzothiadiazole derivatives
Cagardová, Denisa -- Michalík, Martin -- Poliak, Peter -- Lukeš, Vladimír
DFT study of the effect of chemical modification on the electronic structure and drift mobilities of selected pentacene and bis-benzothiadiazole derivatives. In 16th Central European Symposium on Theoretical Chemistry, 9-12th September, Srní, Czech Republic. Prague: J. Heyrovsky Institute of Physical Chemistry, 2018.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
Electronic structure and charge-transport properties of symmetric linear condensed bis-benzothiadiazole derivatives
Cagardová, Denisa -- Michalík, Martin -- Poliak, Peter -- Lukeš, Vladimír
Electronic structure and charge-transport properties of symmetric linear condensed bis-benzothiadiazole derivatives. Journal of Molecular Structure, 1175. p. 297--306.
articles in magazines2018Details
EPR and UV-vis-NIR Spectroelectrochemistry of Five-Coordinate Manganese(III) Complex with a Salen Type Ligand, a Catalyst of Secondary Alcohol Oxidation
Darvasiová, Denisa -- Rapta, Peter -- Zalibera, Michal -- Bučinský, Lukáš -- Breza, Martin -- Shova, Sergiu -- Vlad, Angelica -- Cazacu, Maria -- Arion, Vladimir B.
EPR and UV-vis-NIR Spectroelectrochemistry of Five-Coordinate Manganese(III) Complex with a Salen Type Ligand, a Catalyst of Secondary Alcohol Oxidation. In NAVRÁTIL, M. -- FOJTA, M. -- SCHWARZOVÁ, K. Proceedings of the International Conference Modern Electrochemical Methods XXXVIII, Jetřichovice, May 21-May 25, 2018. Ústi nad Labem: Best servis, 2018, p. 27--30. ISBN 978-80-905221-6-9.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
EPR and UV-vis-NlR spectroelectrochemistry of five-coordinate manganese(III) complex with a salen type ligand, a catalyst of secondary alcohol oxidation
Darvasiová, Denisa -- Rapta, Peter -- Zalibera, Michal -- Bučinský, Lukáš -- Breza, Martin -- Arion, Vladimir B.
EPR and UV-vis-NlR spectroelectrochemistry of five-coordinate manganese(III) complex with a salen type ligand, a catalyst of secondary alcohol oxidation. In The 51st Annual International Meeting of the Electron Spin Resonance Group of the Royal Society of Chemistry, 8.-12. April 2018, London. London: University of London, 2018, p. 93.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
EPR approach in the study of nanocrystalline photocatalysts
Brezová, Vlasta -- Barbieriková, Zuzana -- Dvoranová, Dana -- Mazúr, Milan
EPR approach in the study of nanocrystalline photocatalysts. In KASZONYI, A. -- ŠTOLCOVÁ, M. -- LÉPESOVÁ, L. 14th Pannonian International Symposium on Catalysis, High Tatras, September 3–7, 2018: Book of Abstracts. 1st ed. Bratislava: FCHPT STU, 2018, p. 68. ISBN 978-80-89597-94-9.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
EPR spectroscopy and in situ EPR/UV-vis-NIR spectroelectrochemistry of nickel based macrocyclic complexes as potential catalysts for production of energetically rich materials
Rapta, Peter -- Darvasiová, Denisa -- Zalibera, Michal -- Bučinský, Lukáš -- Puškárová, Ingrid -- Arion, Vladimir B.
EPR spectroscopy and in situ EPR/UV-vis-NIR spectroelectrochemistry of nickel based macrocyclic complexes as potential catalysts for production of energetically rich materials. In The 51st Annual International Meeting of the Electron Spin Resonance Group of the Royal Society of Chemistry, 8.-12. April 2018, London. London: University of London, 2018, p. 126.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
EPR study of graphitic carbon nitride photocatalysts
Dvoranová, Dana -- Barbieriková, Zuzana -- Brezová, Vlasta -- Mazúr, Milan
EPR study of graphitic carbon nitride photocatalysts. In KASZONYI, A. -- ŠTOLCOVÁ, M. -- LÉPESOVÁ, L. 14th Pannonian International Symposium on Catalysis, High Tatras, September 3–7, 2018: Book of Abstracts. 1st ed. Bratislava: FCHPT STU, 2018, p. 70. ISBN 978-80-89597-94-9.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
EPR Study of TiO2-Bi2O3 Composite Photocatalysts
Hajdu, Tomáš -- Barbieriková, Zuzana
EPR štúdium kompozitných fotokatalyzátorov TiO2-Bi2O3. Bachelor thesis. 2018.
final thesis2018Details
Fission of time reversal & additivity. General quantum symmetry of open shell systems
Bučinský, Lukáš -- Gall, Marián -- Komorovsky, Stanislav -- Repisky, M.
Fission of time reversal & additivity. General quantum symmetry of open shell systems. In 7th JCS Symposium, May 21-24, 2018, Prague, Czech Republic. Czech Academy of Science: Prague, 2018.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
Chemický priemysel v zrkadle dejín Slovenska: Jadrovo-chemický priemysel na Slovensku
Holá, Oľga
Chemický priemysel v zrkadle dejín Slovenska: Jadrovo-chemický priemysel na Slovensku. Bratislava: SPEKTRUM STU, 2018. 134 p. ISBN 978-80-227-4762-2.
monographs, textbooks, manuals, norms, patents, research reports, other non-periodical publications2018Details
Chémie pre stredoškolákov: Chemický jarmok - CHEMSHOW na FCHPT STU v Bratislave
Lukeš, Vladimír -- Klein, Erik
Chémie pre stredoškolákov: Chemický jarmok - CHEMSHOW na FCHPT STU v Bratislave. ChemZi, 14. p. 18.
articles in magazines2018Details
Indirect EPR techniques for the detection of reactive radicals in the photocatalytic systems – merits and drawback (Invited Lecture)
Brezová, Vlasta -- Barbieriková, Zuzana -- Dvoranová, Dana -- Mazúr, Milan
Indirect EPR techniques for the detection of reactive radicals in the photocatalytic systems – merits and drawback (Invited Lecture). In 3rd International Symposium on Energy and Environmental Photocatalytic Materials - EEPM3, Krakow, 15th-19th May 2018. 1st ed. Krakow: Jagiellonian University, 2018, p. 44.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
Kryštálová a elektrónová štruktúra 3-(2’-tetrahydropyranyloxy)-4-methylthiazole-2(3H)-thione
Kožíšek, Jozef -- Kožíšková, Júlia -- Bučinský, Lukáš -- Herich, Peter -- Hartung, J -- Muller, M.
Crystal and electronic structure of 3-(2’-tetrahydropyranyloxy)-4-methylthiazole-2(3H)-thione. Acta crystallographica Section A, 74. p. 307.
articles in magazines2018Details
Local Aromaticity of Linear cata-Benzocoronenes and Acenes: Density Functional Study
Cagardová, Denisa -- Poliak, Peter -- Lukeš, Vladimír
Local Aromaticity of Linear cata-Benzocoronenes and Acenes: Density Functional Study. Acta Chimica Slovaca, 11. p. 31--42.
articles in magazines2018Details
New series of quinazolinone derived Schiff's bases: synthesis, spectroscopic properties and evaluation of their antioxidant and cytotoxic activity
Hricovíniová, Zuzana -- Hricovíni, Michal -- Kozics, Katarína
New series of quinazolinone derived Schiff's bases: synthesis, spectroscopic properties and evaluation of their antioxidant and cytotoxic activity. Chemical Papers, 72. p. 1041--1053.
articles in magazines2018Details
NO Releasing and Anticancer Properties of Octahedral Ruthenium-Nitrosyl Complexes with Equatorial 1H-Indazole Ligands
Orlowska, Ewelina -- Babak, Maria V. -- Domotor, Orsolya -- Enyedy, Eva A. -- Rapta, Peter -- Zalibera, Michal -- Bučinský, Lukáš -- Malček, Michal -- Govind, Chinju -- Karunakaran, Venugopal -- Farid, Yusuf Chouthury Shaik -- McDonnell, Tara E. -- Luneau, Dominique -- Schaniel, Dominik -- Ang, Wee Han -- Arion, Vladimir B.
NO Releasing and Anticancer Properties of Octahedral Ruthenium-Nitrosyl Complexes with Equatorial 1H-Indazole Ligands. Inorganic Chemistry, 57. p. 10702--10717.
articles in magazines2018Details
Photoinduced transformation of glycerol in titania suspensions. (An EPR spin trapping study of radical intermediates)
Barbieriková, Zuzana -- Dvoranová, Dana -- Brezová, Vlasta
Photoinduced transformation of glycerol in titania suspensions. (An EPR spin trapping study of radical intermediates). Catalysis Today, 313. p. 106--113.
articles in magazines2018Details
Prejav plasticity koordinačnej sféry v [Cu-2(2-bromopropionato)(4)](n) a [Cu-2(3-bromopropionato)(4)(H2O)(2)]
Valach, Fedor -- Rohlíček, Ján -- Lukeš, Vladimír -- Kožíšek, Jozef -- Jorík, Vladimír
Manifestation of copper coordination sphere plasticity in [Cu-2(2-bromopropionato)(4)](n) and [Cu-2(3-bromopropionato)(4)(H2O)(2)]. Inorganica Chimica Acta, 479. p. 106--112.
articles in magazines2018Details
Probing the first steps of photoinduced free radical polymerization at water–oil interfaces
Darvasiová, Denisa -- Barbieriková, Zuzana -- Zalibera, Michal -- Eibel, Anna -- Schmallegger, Max -- Gescheidt, Georg -- Neshchadin, Dmytro
Probing the first steps of photoinduced free radical polymerization at water–oil interfaces. In Czech Chemical Society Symposium Series. 2018, p. 5.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
Termodynamika záchytu radikálu v symetrických karotenoidoch a ich nabitých foriem
Poliak, Peter -- Škorňa, Peter -- Klein, Erik -- Lukeš, Vladimír
Thermodynamics of radical scavenging of symmetric carotenoids and their charged species. Food Chemistry, 268. p. 542--549.
articles in magazines2018Details
The Effect of Inorganic Additives on the Activity of TiO2 Photocatalysts - an EPR Study
Darvasiová, Ivana -- Barbieriková, Zuzana
Vplyv anorganických aditív na aktivitu TiO2 fotokatalyzátorov - EPR štúdium. Diploma thesis. 2018.
final thesis2018Details
Theoretical calculations of electronic structure of nickel(II) complexes with macrocyclic ligands
Vénosová, Barbora -- Puškárová, Ingrid -- Dvoranová, Dana -- Bučinský, Lukáš -- Rapta, Peter -- Zalibera, Michal -- Arion, Vladimir B.
Theoretical calculations of electronic structure of nickel(II) complexes with macrocyclic ligands. In ICQC 2018: 16th International Congress of Quantum Chemistry, 18-23 June, 2018, Menton, France. IAQMS: [s.l.], 2018.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
Theoretical Study of Antioxidant Action of Selected Phenolic Compounds
Sitárová, Vanessa -- Poliak, Peter
Teoretické štúdium antioxidačného účinku vybraných fenolových látok. Bachelor thesis. 2018.
final thesis2018Details
Theoretical Study of Model derivatives of Phenols – Toxicity Correlation with Structural Parameters and Thermodynamical Properties
Sádecká, Lívia -- Lukeš, Vladimír
Teoretické štúdium modelových derivátov fenolu – korelácie toxicity so štruktúrnymi parametrami a  termodynamickými vlastnosťami. Bachelor thesis. 2018.
final thesis2018Details
Theoretical study of Ru- and Mn-based coordination compounds with biological activity (Invited lecture)
Malček, Michal -- Bučinský, Lukáš -- Zalibera, Michal -- Rapta, Peter -- Arion, Vladimir B.
Theoretical study of Ru- and Mn-based coordination compounds with biological activity (Invited lecture). In 16th Central European Symposium on Theoretical Chemistry, 9-12th September, Srní, Czech Republic. Prague: J. Heyrovsky Institute of Physical Chemistry, 2018.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
Thermodynamics of radical scavenging activity of selected
Poliak, Peter -- Škorňa, Peter -- Klein, Erik -- Lukeš, Vladimír
Thermodynamics of radical scavenging activity of selected. In 16th Central European Symposium on Theoretical Chemistry, 9-12th September, Srní, Czech Republic. Prague: J. Heyrovsky Institute of Physical Chemistry, 2018.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
TiO2/Bi2O3 heterojunction photocatalysts - visible light activity
Barbieriková, Zuzana -- Brezová, Vlasta -- Mazúr, Milan -- Žerjav, Gregor -- Djinovic, Petar -- Pintar, Albin
TiO2/Bi2O3 heterojunction photocatalysts - visible light activity. In The 51st Annual International Meeting of the Electron Spin Resonance Group of the Royal Society of Chemistry, 8.-12. April 2018, London. London: University of London, 2018, p. 135.
contributions in anthologies, chapters in monographs/textbooks, abstracts2018Details
Toxicita para substituovaných fenolov a ich chinoidných metabolitov: kvantovochemická štúdium
Michalík, Martin -- Poliak, Peter -- Klein, Erik -- Lukeš, Vladimír
On the toxicity of para-substituted phenols and their quinone metabolites: Quantum chemical study. Chemical Physics Letters, 709. p. 71--76.
articles in magazines2018Details
Use Of Light In Medical Therapy – Basic Physical Characterization of Light Sources in BioLamps
Nagyová, Klaudia -- Lukeš, Vladimír
Využitie svetla v medicínskej terapii – základná fyzikálna charakterizácia zdroja svetla v biolampách. Bachelor thesis. 2018.
final thesis2018Details
Vplyv zámeny substituentov na prítomnosť termálneho spin crossoveru v sérii jednojadrových komplexov železa (III) so Schiffovými bázami a terminálnymi pseudohalogenidovými ligandami
Pogány, Lukáš -- Brachňaková, Barbora -- Moncoľ, Ján -- Pavlik, Ján -- Nemec, Ivan -- Trávniček, Zdeněk -- Mazúr, Milan -- Bučinský, Lukáš -- Suchánek, Ľubomír -- Šalitroš, Ivan
Impact of Substituent Variation on the Presence of Thermal Spin Crossover in a Series of Mononuclear Iron(III) Schiff Base Complexes with Terminal Pseudohalido Co-ligands. Chemistry - A European Journal, 24. p. 5191--5203.
articles in magazines2018Details