Jan 19, 2020   2:22 a.m. Drahomíra, Mário, Sára
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Department of Chemical Physics (IPC FCFT) - list of publications


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Number of entries found: 57

PublicationsType of resultYearDetails
A Comparison of Theoretical and Experimental Electronic Structures of 4-Methyl-3-[(tetrahydro-2Hpyran-2-yl)oxy]thiazole-2(3H)-thione
Vénosová, Barbora -- Adamko Kožíšková, Júlia -- Bučinský, Lukáš -- Kožíšek, Jozef
A Comparison of Theoretical and Experimental Electronic Structures of 4-Methyl-3-[(tetrahydro-2Hpyran-2-yl)oxy]thiazole-2(3H)-thione. In KLEIN, E. -- DVORANOVÁ, D. Scientific Meeting of Institute of Physical Chemistry and Chemical Physics. Bratislava,: Slovenská chemická knižnica, 2019, p. 32--33. ISBN 978-80-8208-026-4.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Binuclear Cu-Cu/Cr-Cr paddle wheel complexes: Theoretical study
Malček, Michal -- Vénosová, Barbora -- Puškárová, Ingrid -- Bučinský, Lukáš -- Kožíšek, Jozef
Binuclear Cu-Cu/Cr-Cr paddle wheel complexes: Theoretical study. In CESTC 2019. Wien: Universität Wien, 2019, p. 74.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Biokatalytická produkcia fenylacetaldehydu v systéme dvoch membránových reaktorov
Mihaľ, Mário -- Červeňanský, Ivan -- Markoš, Jozef -- Annus, Július
Biocatalytic production of phenylacetaldehyde in system of two membrane reactors. In MARKOŠ, J. -- MIHAĽ, M. Proceedings of the 46th International Conference of the Slovak Society of Chemical Engineering. Bratislava,: Slovak Society of Chemical Engineering, 2019, p. 37. ISBN 978-80-8208-011-0.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
B3LYP/6-31G(d,p) calculations of thienoacene tetrathiafulvalenes in different oxidation and spin states
Darvasiová, Denisa -- Lukeš, Vladimír -- Rapta, Peter -- Andersen, Cecilie Lindholm -- Hammerich, Ole
B3LYP/6-31G(d,p) calculations of thienoacene tetrathiafulvalenes in different oxidation and spin states. In WEEM 2019, International Workshop on Electrochemistry of Electroactive Materials, 16.-21.6.2019, Borovets. Sofia,: Bulgarian Academy of Science, 2019, p. 121--123.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Combined DFT and EPR study of newly synthesized TEMPO/PROXYL-derived bis(amide) compounds
Malček, Michal -- Bučinský, Lukáš -- Nitrayová, Dária -- Szolcsányi, Peter -- Brezová, Vlasta
Combined DFT and EPR study of newly synthesized TEMPO/PROXYL-derived bis(amide) compounds. In XIth International Workshop on EPR (ESR) in Biology and Medicine. EPR Society, 2019: 2019, p. 90.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Complexes of the noninnocent pentan-2,4-dione bis-(S-methylisothiosemicarbazone) ligand with cobalt
Jelemenská, Ingrid -- Bučinský, Lukáš -- Arion, Vladimir B.
Complexes of the noninnocent pentan-2,4-dione bis-(S-methylisothiosemicarbazone) ligand with cobalt. In RAPTA, P. Synthesis, Characterisation and Properties of Novel Coordination Compounds, Bratislava – Vienna Seminar. Bratislava,: Slovenská chemická knižnica, 2019, p. 33--34. ISBN 978-80-8208-028-8.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Conformation of dinitroxides and the exchange coupling - is the change intra- or intermolecular?
Poliak, Peter -- Lukeš, Vladimír
Conformation of dinitroxides and the exchange coupling - is the change intra- or intermolecular?. In XIth EFEPR 2019 Conference, 1.-5.9.2019, Bratislava. Bratislava,: SCHK FCHPT STU, 2019, ISBN 978-80-8208-020-2.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Cu-doped and Cu-decorated Graphene Quantum Dots as Powerful Adsorbents
Malček, Michal -- Bučinský, Lukáš
Cu-doped and Cu-decorated Graphene Quantum Dots as Powerful Adsorbents. In KLEIN, E. -- DVORANOVÁ, D. Scientific Meeting of Institute of Physical Chemistry and Chemical Physics. Bratislava,: Slovenská chemická knižnica, 2019, p. 34. ISBN 978-80-8208-026-4.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Design of Novel Generations of Planar Sunflower Molecules: Theoretical Comparative Study of Electronic Structure and Charge Transport Characteristics
Cagardová, Denisa -- Matúška, Ján -- Poliak, Peter -- Lukeš, Vladimír
Design of Novel Generations of Planar Sunflower Molecules: Theoretical Comparative Study of Electronic Structure and Charge Transport Characteristics. Journal of Physical Chemistry C, 123. p. 22752--22766.
articles in magazines2019Details
Dinuclear manganese(III) complexes with bioinspired coordination and variable linkers showing weak exchange effects: a synthetic, structural, spectroscopic and computation study
Shova, Sergiu -- Vlad, Angelica -- Cazacu, Maria -- Krzystek, J. -- Ozarowski, Andrew -- Malček, Michal -- Bučinský, Lukáš -- Rapta, Peter -- Cano, Joan -- Telser, Joshua -- Arion, Vladimir B.
Dinuclear manganese(III) complexes with bioinspired coordination and variable linkers showing weak exchange effects: a synthetic, structural, spectroscopic and computation study. Dalton Transactions, 48. p. 5909--5922.
articles in magazines2019Details
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 magazines2019Details
Electronic Structure, electron density and charge density of (3-(2'-tetrahydropyranyloxy)-4-methylthiazole-2(3H)-thione)
Vénosová, Barbora -- Bučinský, Lukáš -- Kožíšek, Jozef -- Kožíšková, Júlia -- Hartung, J
Electronic Structure, electron density and charge density of (3-(2'-tetrahydropyranyloxy)-4-methylthiazole-2(3H)-thione). In ICDM 2019, Göttingen. Göttingen,: Georg-August-Universität Göttingen, 2019.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Energy Efficiency of Old Building of The Faculty of Chemical and Food Technology of The Slovak Technical University in Bratislava: Assessment of The Current State and Proposals for Solution
Ondra, Daniel -- Lukeš, Vladimír
Energetická náročnosť Starej budovy Fakulty chemickej a potravinárskej technológie Slovenskej technickej univerzity v Bratislave: posúdenie aktuálneho stavu a návrhy na riešenie. Bachelor thesis. 2019.
final thesis2019Details
EPR investigations of polymeric and H2O2-modified C3N4-based photocatalysts
Dvoranová, Dana -- Barbieriková, Zuzana -- Mazúr, Milan -- García-López, Elisa -- Marci, Giuseppe -- Lušpai, Karol -- Brezová, Vlasta
EPR investigations of polymeric and H2O2-modified C3N4-based photocatalysts. Journal of Photochemistry and Photobiology A: Chemistry, 375. p. 100--113.
articles in magazines2019Details
EPR Spin Trapping Technique as a Useful but Tricky Tool in the Studies of Photoinduced Processes
Barbieriková, Zuzana -- Dvoranová, Dana -- Brezová, Vlasta
EPR Spin Trapping Technique as a Useful but Tricky Tool in the Studies of Photoinduced Processes. In The 52st Annual International Meeting of the Electron Spin Resonance Group of the Royal Society of Chemistry, 7.-11. April 2019, Glasgow. Glasgow,: University of Glasgow, 2019, p. 18.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
EPR Study of Composite TiO2-Bi2O3 photocatalyst
Barbieriková, Zuzana -- Hajdu, Tomáš
EPR Study of Composite TiO2-Bi2O3 photocatalyst. In KLEIN, E. -- DVORANOVÁ, D. Scientific Meeting of Institute of Physical Chemistry and Chemical Physics. Bratislava,: Slovenská chemická knižnica, 2019, p. 50--51. ISBN 978-80-8208-026-4.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
EPR study of hybrid noble-metals/TiO2 nanomaterials
Dvoranová, Dana -- Barbieriková, Zuzana -- Brezová, Vlasta -- Saeli, Manfredi -- Tobaldi, David. M.
EPR study of hybrid noble-metals/TiO2 nanomaterials. In EAAOP-6, 6th European Conference on Environmental Applications of Advanced Oxidation Processes, 26.-30.6.2019, Portorož, Slovinsko. Ľubľana: Slovenian Chemical Society, 2019, ISBN 978-961-93849-5-4.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
EPR Study of Photocatalytic Activity of Composite TiO2-Bi2O3 Photocatalysts
Hajdu, Tomáš -- Barbieriková, Zuzana
EPR štúdium fotokatalytickej aktivity kompozitných fotokatalyzátorov TiO2-Bi2O3. In Studentská odborná konference Chemie je život: Sborník abstraktů. 1st ed. Brno,: VUT, Fakulta chemická, 2019, p. 27. ISBN 978-80-214-5807-9.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Formation and fragmentation of the tungsten clusters in gas phase
Matúška, Ján -- Sukuba, Ivan -- Urban, Ján
Formation and fragmentation of the tungsten clusters in gas phase. Journal of molecular modeling, 25. p. 1--8.
articles in magazines2019Details
High-Frequency and -Field EPR (HFEPR) Investigation of a Pseudotetrahedral Cr-IV Siloxide Complex and Computational Studies of Related (CrL4)-L-IV Systems
Bučinský, Lukáš -- Breza, Martin -- Malček, Michal -- Powers, David C. -- Hwang, C.H. -- Krzystek, J. -- Nocera, Daniel G. -- Telser, Joshua
High-Frequency and -Field EPR (HFEPR) Investigation of a Pseudotetrahedral Cr-IV Siloxide Complex and Computational Studies of Related (CrL4)-L-IV Systems. Inorganic Chemistry, 58. p. 4907--4920.
articles in magazines2019Details
How to teach a non-relativistic wavefunction relativity
Podhorský, Michal -- Bučinský, Lukáš
How to teach a non-relativistic wavefunction relativity. In CESTC 2019. Wien: Universität Wien, 2019, p. 52.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Challenges for what we call accurate experimental charge density. Is there an accurate experimental charge density or is the theory also just a hoax?
Bučinský, Lukáš
Challenges for what we call accurate experimental charge density. Is there an accurate experimental charge density or is the theory also just a hoax?. In ICDM 2019, Göttingen. Göttingen,: Georg-August-Universität Göttingen, 2019.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
In-situ EPR/UV-Vis-NIR Spectroelectrochemistry of Thienoacene-Extended Tetrathiafulvalenes
Darvasiová, Denisa -- Rapta, Peter -- Zalibera, Michal -- Lušpai, Karol -- Lukeš, Vladimír -- Andersen, Cecilie Lindholm -- Christensen, Mikkel A. -- Haley, Michael M. -- Hammerich, Ole -- Nielsen, Mogens Brondsted
In-situ EPR/UV-Vis-NIR Spectroelectrochemistry of Thienoacene-Extended Tetrathiafulvalenes. In The 52st Annual International Meeting of the Electron Spin Resonance Group of the Royal Society of Chemistry, 7.-11. April 2019, Glasgow. Glasgow,: University of Glasgow, 2019, p. 16.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Is time-reversal symmetry capable to deal with the EPR phenomena?
Bučinský, Lukáš
Is time-reversal symmetry capable to deal with the EPR phenomena?. In XIth EFEPR 2019 Conference, 1.-5.9.2019, Bratislava. Bratislava,: SCHK FCHPT STU, 2019, ISBN 978-80-8208-020-2.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Kryštalizácia polypropylénu v prítomnosti anorganických aditív
Ujhelyiová, Anna -- Horbanová, Ľuba -- Petková, Mária -- Ryba, Jozef -- Annus, Július
Polypropylene Crystallisation in the Presence of Inorganic Additives. Fibres and textiles in Eastern Europe, 27. p. 30--38.
articles in magazines2019Details
Kvantovo-chemické štúdium liečív v chronickej myeloidnej leukémii
Sitárová, Vanessa -- Poliak, Peter
Kvantovo-chemické štúdium liečív v chronickej myeloidnej leukémii. In REHÁKOVÁ, M. -- ORAVEC, J. Chémia a technológie pre život. Bratislava: Slovenská chemická knižnica, 2019, p. 259--260. ISBN 978-80-8208-015-8.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Metal - metal interactions and spin state preference
Vénosová, Barbora -- Malček, Michal -- Puškárová, Ingrid -- Kožíšek, Jozef -- Bučinský, Lukáš
Metal - metal interactions and spin state preference. In XIth EFEPR 2019 Conference, 1.-5.9.2019, Bratislava. Bratislava,: SCHK FCHPT STU, 2019, ISBN 978-80-8208-020-2.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Molecular dynamics study of the clusters formation and stability
Matúška, Ján
Molecular dynamics study of the clusters formation and stability. In KLEIN, E. -- DVORANOVÁ, D. Scientific Meeting of Institute of Physical Chemistry and Chemical Physics. Bratislava,: Slovenská chemická knižnica, 2019, p. 38--39. ISBN 978-80-8208-026-4.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
New Generations of Sunflower Molecules: Theoretical Study of Electronic Structure and Charge Transport Characteristics
Cagardová, Denisa -- Lukeš, Vladimír
New Generations of Sunflower Molecules: Theoretical Study of Electronic Structure and Charge Transport Characteristics. In CESTC 2019. Wien: Universität Wien, 2019, p. 53.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Nickel(II) Complexes with Redox Noninnocent Octaazamacrocycles as Catalysts in Oxidation Reactions
Dobrov, Anatolie -- Darvasiová, Denisa -- Zalibera, Michal -- Bučinský, Lukáš -- Puškárová, Ingrid -- Rapta, Peter -- Shova, Sergiu -- Dumitrescu, Dan -- Martins, Luísa M. D. R. S. -- Pombeiro, Armando J.L. -- Arion, Vladimir B.
Nickel(II) Complexes with Redox Noninnocent Octaazamacrocycles as Catalysts in Oxidation Reactions. Inorganic Chemistry, 58. p. 11133--11145.
articles in magazines2019Details
Od fenolov k chinónom: termodynamika tvorby radikálu parasubstituovaných fenolov
Michalík, Martin -- Poliak, Peter -- Lukeš, Vladimír -- Klein, Erik
From phenols to quinones: Thermodynamics of radical scavenging activity of para-substituted phenols. PHYTOCHEMISTRY, 166. p. 12077.
articles in magazines2019Details
On local aromaticity of selected model aza-[n]circulenes (n = 6, 7, 8 and 9): Density functional theoretical study
Cagardová, Denisa -- Lukeš, Vladimír -- Matúška, Ján -- Poliak, Peter
On local aromaticity of selected model aza-[n]circulenes (n = 6, 7, 8 and 9): Density functional theoretical study. Acta Chimica Slovaca, 12. p. 70--81.
articles in magazines2019Details
On the adsorption ability of Cu-doped and Cu-decorated graphene quantum dots
Malček, Michal -- Bučinský, Lukáš -- Cordeiro, Maria Natália Dias Soeiro
On the adsorption ability of Cu-doped and Cu-decorated graphene quantum dots. In BIMac 2019, 23rd Bratislava International Conference on Macromolecules, 30.6.-3.7.2019, Bratislava: Programme and Abstracts Book. 1st ed. Bratislava,: Polymer Institute SAS, 2019, ISBN 978-80-89841-10-3.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
On the free radical scavenging activity of deprotonated forms of flavonoids and phenolic acids
Klein, Erik -- Rimarčík, Ján -- Biela, Monika -- Poliak, Peter -- Kleinová, Andrea
On the free radical scavenging activity of deprotonated forms of flavonoids and phenolic acids. In XIth EFEPR 2019 Conference, 1.-5.9.2019, Bratislava. Bratislava,: SCHK FCHPT STU, 2019, ISBN 978-80-8208-020-2.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
On the thermodynamics of the radical scavenging activity of 3,4-dihydroxybenzohydrazide derivatives
Cagardová, Denisa -- Lukeš, Vladimír -- Klein, Erik -- Petrović, Vladimir -- Marković, Zoran
On the thermodynamics of the radical scavenging activity of 3,4-dihydroxybenzohydrazide derivatives. In ICCB 2019, 8th International Conference on Computational Bioengineering, 4.-6.9.2019, Belehrad. Kragujevac,: University of Kragujevac, 2019, p. 89. ISBN 978-86-81037-75-1.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Past and Presence of Relativistic Quantum Crystallography
Podhorský, Michal -- Bučinský, Lukáš -- Malček, Michal -- Biskupič, Stanislav
Past and Presence of Relativistic Quantum Crystallography. In KLEIN, E. -- DVORANOVÁ, D. Scientific Meeting of Institute of Physical Chemistry and Chemical Physics. Bratislava,: Slovenská chemická knižnica, 2019, p. 29--31. ISBN 978-80-8208-026-4.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Potential health hazards and environmental burdens arising from the use of sun-tanning creams
Benesová, Diana -- Lukeš, Vladimír
Potenciálne zdravotné riziká a environmentálne záťaže vznikajúce používaním opaľovacích krémov. Bachelor thesis. 2019.
final thesis2019Details
Quantum Crystallography
Podhorský, Michal -- Bučinský, Lukáš
Kvantová kryštalografia. Bachelor thesis. 2019.
final thesis2019Details
Quantum Chemical Calculations of Electronic Structure and Charge Transport Properties of organic compounds applicable in optoelectronics
Cagardová, Denisa -- Lukeš, Vladimír
Quantum Chemical Calculations of Electronic Structure and Charge Transport Properties of organic compounds applicable in optoelectronics. In KLEIN, E. -- DVORANOVÁ, D. Scientific Meeting of Institute of Physical Chemistry and Chemical Physics. Bratislava,: Slovenská chemická knižnica, 2019, p. 42--44. ISBN 978-80-8208-026-4.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Quantum Chemical Calculations of Charge Transport Characteristics for New Generations of Sunflower Molecules
Cagardová, Denisa -- Lukeš, Vladimír
Quantum Chemical Calculations of Charge Transport Characteristics for New Generations of Sunflower Molecules. In Frontiers in Chemistry and Drug Discovery. Newcastle upon Tyne, UK: Scholars conferences limited, 2019, p. 35.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Redox properties of a complex containing a [Ru(NO)] moiety and two high spin iron(III) centres
Bučinský, Lukáš -- Jelemenská, Ingrid -- Vénosová, Barbora -- Arion, Vladimir B.
Redox properties of a complex containing a [Ru(NO)] moiety and two high spin iron(III) centres. In RAPTA, P. Synthesis, Characterisation and Properties of Novel Coordination Compounds, Bratislava – Vienna Seminar. Bratislava,: Slovenská chemická knižnica, 2019, p. 27--28. ISBN 978-80-8208-028-8.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Redox Properties of Thienoacene-Extended Tetrathiafulvalenes
Rapta, Peter -- Zalibera, Michal -- Lušpai, Karol -- Darvasiová, Denisa -- Lukeš, Vladimír -- Andersen, Cecilie Lindholm -- Hammerich, Ole
Redox Properties of Thienoacene-Extended Tetrathiafulvalenes. In WEEM 2019, International Workshop on Electrochemistry of Electroactive Materials, 16.-21.6.2019, Borovets. Sofia,: Bulgarian Academy of Science, 2019, p. 26--28.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Relativistic quantum crystallography of diphenyl- and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement
Bučinský, Lukáš -- Jayatilaka, Dylan -- Grabowsky, Simon
Relativistic quantum crystallography of diphenyl- and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement. Acta crystallographica Section A, 75. p. 705--717.
articles in magazines2019Details
Spectroelectrochemical, photochemical and theoretical study of octaazamacrocyclic nickel(II) complexes exhibiting unusual solvent-dependent deprotonation of methylene group
Darvasiová, Denisa -- Šoral, Michal -- Jelemenská, Ingrid -- Dvoranová, Dana -- Vénosová, Barbora -- Bučinský, Lukáš -- Zalibera, Michal -- Dujnic, Viera -- Dobrov, Anatolie -- Schwalbe, Matthias -- Arion, Vladimir B. -- Rapta, Peter
Spectroelectrochemical, photochemical and theoretical study of octaazamacrocyclic nickel(II) complexes exhibiting unusual solvent-dependent deprotonation of methylene group. Electrochimica Acta, 326. p. 35006.
articles in magazines2019Details
Spectroelectrochemistry and B3LYP/6-31G(d,p) Calculations of Thienoacene Tetrathiafulvalenes in Different Oxidation and Spin States
Lušpai, Karol -- Rapta, Peter -- Darvasiová, Denisa -- Lukeš, Vladimír
Spectroelectrochemistry and B3LYP/6-31G(d,p) Calculations of Thienoacene Tetrathiafulvalenes in Different Oxidation and Spin States. In KLEIN, E. -- DVORANOVÁ, D. Scientific Meeting of Institute of Physical Chemistry and Chemical Physics. Bratislava,: Slovenská chemická knižnica, 2019, p. 62--64. ISBN 978-80-8208-026-4.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Study of electronic structure and CO2 affinity of complexes of transition metals
Vénosová, Barbora -- Bučinský, Lukáš -- Puškárová, Ingrid -- Rapta, Peter
Study of electronic structure and CO2 affinity of complexes of transition metals. In CESTC 2019. Wien: Universität Wien, 2019.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Study of relationships between structure, energy and reactivity of molecules with potential biological effects
Michalík, Martin -- Lukeš, Vladimír
Štúdium vzťahov medzi štruktúrou, energetikou a reaktivitou molekúl s potenciálnymi biologickými účinkami. Dissertation thesis. 2019.
final thesis2019Details
TEMPO/PROXYL-derived bis(amide) monomers and dimers. Theory vs. Experiment
Malček, Michal -- Bučinský, Lukáš -- Nitrayová, Dária -- Szolcsányi, Peter -- Brezová, Vlasta
TEMPO/PROXYL-derived bis(amide) monomers and dimers. Theory vs. Experiment. In XIth EFEPR 2019 Conference, 1.-5.9.2019, Bratislava. Bratislava,: SCHK FCHPT STU, 2019, ISBN 978-80-8208-020-2.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
The electronic structure of the transition metal complexes
Puškárová, Ingrid -- Vénosová, Barbora -- Bučinský, Lukáš
The electronic structure of the transition metal complexes. In CEST 2019, 17h Central European Symposium on Theoretical Chemistry, Burg Schlaining, Rakúsko: Book of Abstracts elektronický zdroj. 1st ed. Viedeň, Rakúsko,: Universität Wien, 2019.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
The Study of Basis Sets of ANO Type for extrapolation to Complete Basis Set
Granatier, Jaroslav
The Study of Basis Sets of ANO Type for extrapolation to Complete Basis Set. In KLEIN, E. -- DVORANOVÁ, D. Scientific Meeting of Institute of Physical Chemistry and Chemical Physics. Bratislava,: Slovenská chemická knižnica, 2019, p. 36--37. ISBN 978-80-8208-026-4.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Theoretical investigation of (poly)phenolic antioxidants action thermodynamics
Klein, Erik -- Lukeš, Vladimír -- Rimarčík, Ján -- Biela, Monika
Theoretical investigation of (poly)phenolic antioxidants action thermodynamics. In Applied Natural Sciences 2019. ANS 2019. Trnava: University of ss. Cyril and Methodius in Trnava, 2019, p. 19. ISBN 978-80-572-0011-6.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Theoretical Investigation of Promising Descriptors for Estimation of Drug Biological Activities
Michalík, Martin
Theoretical Investigation of Promising Descriptors for Estimation of Drug Biological Activities. In KLEIN, E. -- DVORANOVÁ, D. Scientific Meeting of Institute of Physical Chemistry and Chemical Physics. Bratislava,: Slovenská chemická knižnica, 2019, p. 45--46. ISBN 978-80-8208-026-4.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Theoretical Study of Antioxidant Action of Selected Phenolic Compounds
Sitárová, Vanessa -- Poliak, Peter -- Klein, Erik
Theoretical Study of Antioxidant Action of Selected Phenolic Compounds. In KLEIN, E. -- DVORANOVÁ, D. Scientific Meeting of Institute of Physical Chemistry and Chemical Physics. Bratislava,: Slovenská chemická knižnica, 2019, p. 35. ISBN 978-80-8208-026-4.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Theoretical study of macrocyclic nickel complexes
Puškárová, Ingrid -- Vénosová, Barbora -- Bučinský, Lukáš
Theoretical study of macrocyclic nickel complexes. In MELNÍK, M. -- SEGĽA, P. -- TATARKO, M. Progressive Trends in Coordination, Bioinorganic and Applied Inorganic Chemistry, XXVII. International Conference on Coordination and Bioinorganic Chemistry, 2.-7.6.2019, Smolenice. Bratislava,: Slovak Chemical Society, 2019, p. 79--84. ISBN 978-80-8208-014-1.
contributions in anthologies, chapters in monographs/textbooks, abstracts2019Details
Theoretical Study of Thermodynamic Stability of Selected Groups of Molecules After Ultrasonic Irradiation
Korcová, Katarína -- Lukeš, Vladimír
Teoretické štúdium termodynamickej stability vybraných skupín molekúl po ožiarení ultrazvukom. Diploma thesis. 2019.
final thesis2019Details
Thermodynamics of primary antioxidant action of flavonols in polar solvents
Michalík, Martin -- Rimarčík, Ján -- Lukeš, Vladimír -- Klein, Erik
Thermodynamics of primary antioxidant action of flavonols in polar solvents. Acta Chimica Slovaca, 12. p. 108--118.
articles in magazines2019Details
Tuning Redox Properties and Self-Assembly of Thienoacene-Extended Tetrathiafulvalenes
Andersen, Cecilie Lindholm -- Zalibera, Michal -- Lušpai, Karol -- Christensen, Mikkel A. -- Darvasiová, Denisa -- Lukeš, Vladimír -- Rapta, Peter -- Haley, Michael M. -- Hammerich, Ole -- Nielsen, Mogens Brondsted
Tuning Redox Properties and Self-Assembly of Thienoacene-Extended Tetrathiafulvalenes. ChemPlusChem, 84. p. 1279--1287.
articles in magazines2019Details