Search results
Title Notes on theoretical studies of absorption and emission UV VIS spectra of charge-transfer complexes including PCm solvent effects Author info Ondrej Kyseľ, Šimon Budzák ... [et al.] Author Kyseľ Ondrej 1937- (25%) UMBFP08 - Katedra chémie
Co-authors Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Mach Pavel (25%)
Source document CESTC 2015 : 14th Central European symposium on theoretical chemistry, Banská Bystrica, Slovakia, September 6-9, 2015 : book of abstracts. S. 60. - Banská Bystrica : Univerzita Mateja Bela, Fakulta prírodných vied, 2015 / Medveď Miroslav 1971- ; Melicherčík Miroslav 1984- ; Budzák Šimon 1982- ; CESTC 2015 stredoeurópske sympózium Keywords organické syntézy - organic synthesis spektrálne metódy hydrazóny - hydrazones spectral methods hydrazones Language English Country Slovak Republic systematics 547 Public work category AFL No. of Archival Copy 34770 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ 
unrecognised
Title Electronic and vibrational NLO properties of charge-transfer NMB-TCNE complexes Author info Miroslav Medveď ... [et al.] Author Medveď Miroslav 1971- (30%) UMBFP08 - Katedra chémie
Co-authors Reis Heribert (30%)
Budzák Šimon 1982- (10%) UMBFP08 - Katedra chémie
Zaleśny Robert 1977- (20%) UMBFP08 - Katedra chémie
Kyseľ Ondrej 1937- (10%) UMBFP08 - Katedra chémie
Source document JCS - 2015 : 6th JCS international symposium on theoretical chemistry, Smolenice, October 11th-15th, 2015. S. 29. - Bratislava : Slovak Academy of Sciences, 2015 ; JCS international symposium on theoretical chemistry medzinárodné sympózium Keywords nelineárne optické vlastnosti vibračné efekty komplexy s prenosom náboja nonlinear optical properties vibrational effects charge transfer complexes Language English Country Slovak Republic systematics 535 Public work category AFH No. of Archival Copy 34768 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised
Title Theoretical study of charge transfer complexes between antithyroid thioamides and TCNE: Thermodynamics of the complex formation Author info Šimon Budzák ... [et al.] Author Budzák Šimon 1982- (20%) UMBFP08 - Katedra chémie
Co-authors Mach Pavel (20%)
Juhász György (20%)
Medveď Miroslav 1971- (20%) UMBFP08 - Katedra chémie
Kyseľ Ondrej 1937- (20%) UMBFP08 - Katedra chémie
Source document Computational and Theoretical Chemistry. Vol. 1051 (2015), pp. 129-136. - Amsterdam : Elsevier B.V., 2015 Keywords tioamid komplexy s prenosom náboja termodynamika - thermodynamics teória funkcionálu elektrónovej hustoty thioamides charge transfer complexes density functional method Language English Country Netherlands systematics 52 53 Public work category ADC No. of Archival Copy 33017 Repercussion category ELAZAZY, Marwa S. - GANESH, K. - SIVAKUMAR, V. - HUESSEIN, Yasser H. A. Interaction of p-synephrine with p-chloranil : experimental design and multiple response optimization. In RSC advances. ISSN 2046-2069, 2016, vol. 6, no. 69, pp. 64967-64976.
WANG, Hailong. Theoretical study on the molecular structure, intermolecular interaction and spectral features of 2-aminopyridine/2,3-dichloro-5,6-dicyano-1,4-benzoquinone complex. In Journal of chemical sciences. ISSN 0974-3626, 2017, vol. 129, no. 6, pp. 775-782.
MAJID, Abdul - AHMAD, Naeem - AWAN, Tahir Iqbal - JAVED, Mehreen. A computational study of ferromagnetic exchange interactions and charge transfer in codoped gallium nitride. In Journal of superconductivity and novel magnetism. ISSN 1557-1939, 2018, vol. 31, no. 2, pp. 475-481.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised
Title Critical analysis of spectral solvent shifts calculated by the contemporary PCM approaches of a representative series of charge-transfer complexes between tetracyanoethylene and methylated benzenes Author info Šimon Budzák, Pavel Mach, Miroslav Medveď, Ondrej Kyseľ Author Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Co-authors Mach Pavel (25%)
Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Kyseľ Ondrej 1937- (25%) UMBFP08 - Katedra chémie
Source document Physical Chemistry Chemical Physics. Vol. 17, no. 27 (2015), pp. 17618-17627. - Cambridge : The Royal Society of Chemistry (RSC), 2015 Keywords komplexy s prenosom náboja posun vplyvom rozpúšťadla kontinuálny solvatačný model charge transfer complexes solvent shift continuum solvatation model Language English Country Great Britian systematics 54 Public work category ADC No. of Archival Copy 33320 Repercussion category WANG, Hailong. Theoretical study on the molecular structure, intermolecular interaction and spectral features of 2-aminopyridine/2,3-dichloro-5,6-dicyano-1,4-benzoquinone complex. In Journal of chemical sciences. ISSN 0974-3626, 2017, vol. 129, no. 6, pp. 775-782.
GIESEKING, Rebecca L. - RATNER, Mark A. - SCHATZ, George C. Implementation of INDO/SCI with COSMO implicit solvation and benchmarking for solvatochromic shifts. In Journal of physical chemistry A. ISSN 1089-5639, 2016, vol. 120, no. 49, pp. 9878-9885.
MEWES, Jan-Michael - HERBERT, John M. - DREUW, Andreas. On the accuracy of the general, state-specific polarizable-continuum model for the description of correlated ground-and excited states in solution. In Physical chemistry chemical physics. ISSN 1463-9076, 2017, vol. 19, no. 2, pp. 1644-1654.
SKUPA, Katarina - URBAN, Jan. Modifications of the chromophore of Spinach aptamer based on QM : MM calculations. In Journal of molecular modeling. ISSN 1610-2940, 2017, vol. 23, no. 2, pp. [1-12].
MEWES, Jan-Michael. Modeling TADF in organic emitters requires a careful consideration of the environment and going beyond the Franck-Condon approximation. In Physical chemistry chemical physics. ISSN 1463-9076, 2018, vol. 20, no. 18, pp. 12454-12469.
HERBERT, John M. Dielectric continuum methods for quantum chemistry. In Wiley interdisciplinary reviews. Computational molecular science. ISSN 1759-0876, 2021, vol. 11, no. 4.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised
Title Critical analysis of spectral solvent shifts calculated by different PCM approaches of representative series of charge-transfer complexes between TCNE and methylated benzenes Author info Šimon Budzák, Ondrej Kyseľ, Miroslav Medveď, Pavel Mach Author Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Co-authors Kyseľ Ondrej 1937- (25%) UMBFP08 - Katedra chémie
Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Mach Pavel (25%)
Source document Advances in computational spectroscopy (CODECS 2014) : workshop CMST Action CM1002-CODECS, October 23-27, 2014 Bratislava : book of abstracts. S. 111. - Banská Bystrica : Matej Bel University, 2014 / Medveď Miroslav 1971- ; Advances in computational spectroscopy (CODECS 2014) workshop Keywords PCM solvent efekty PCM solvent effects TCNE Language English Country Slovak Republic systematics 54 Public work category AFH No. of Archival Copy 32027 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised
Title Theoretical study (CC2, DFTand PCM) of charge transfer complexes between antithyroid thioamides and TCNE: electronic CT transitions Author info Pavel Mach ... [et al.] Author Mach Pavel (20%)
Co-authors Budzák Šimon 1982- (20%) UMBFP08 - Katedra chémie
Juhász György (20%)
Medveď Miroslav 1971- (20%) UMBFP08 - Katedra chémie
Kyseľ Ondrej 1937- (20%) UMBFP08 - Katedra chémie
Source document Journal of Molecular Modeling. Vol. 20, no. 6 (2014), pp. [1-15]. - Heidelberg : Springer-Verlag, 2014 Keywords DFT metóda komplexy s prenosom náboja excitované stavy ionizačné potenciály DFT method excited states ionization potentials thioamides Language English Country United States of America systematics 54 Public work category ADC No. of Archival Copy 30532 Repercussion category KOLESNIKOVA, Tatiana S. - CHERNOV'YANTS, Margarita S. - KLETSKII, Mikhail E. - BUROV, Oleg N. - BONDARENKO, Gennady I. - KNYAZEV, Pavel A. Charge transfer complexes formed by heterocyclic thioamides and tetracyanoethylene : experimental and theoretical study. In Journal of physical chemistry A. ISSN 1089-5639, 2017, vol. 121, no. 37, pp. 7000-7008.
DU, Likai - GENG, Cuihuan - ZHANG, Dongju - LAN, Zhenggang - LIU, Chengbu. Atomic resolution insights into the structural aggregations and optical properties of neat imidazolium-based ionic liquids. In Journal of physical chemistry B. ISSN 1520-6106, 2016, vol. 120, no. 27, pp. 6721-6729.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised
Title Theoretical study of charge transfer complexes between selected antithyroid agents and TCNE Author info Šimon Budzák ... [et al.] Author Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Co-authors Mach Pavel (25%)
Juhász György (25%)
Kyseľ Ondrej 1937- (25%) UMBFP08 - Katedra chémie
Source document CESTC 2013: Central European Symposium on Theoretical Chemistry : 22nd - 25th September 2013, Znojmo, Czech Republic. S. 37. - Prague : J. Heyrovský Institute of Physical Chemistry, Academy of Science of the Czech Republic, 2013 / Tarana Michal ; Čurík Roman ; CESTC 2013 stredoeurópske sympózium Keywords antityreoidálne látky teoretické štúdie theoretical study antithyroid agents Language English Country Czech Republic systematics 544 Public work category AFK No. of Archival Copy 28772 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised
Title Teória chemickej väzby Author info Miroslav Medveď, Marek Skoršepa, Šimon Budzák; rec. Ivan Černušák, Ondrej Kyseľ, Miroslav Urban Author Medveď Miroslav 1971- (34%) UMBFP08 - Katedra chémie
Co-authors Skoršepa Marek 1976- (33%) UMBFP08 - Katedra chémie
Budzák Šimon 1982- (33%) UMBFP08 - Katedra chémie
Another authors Černušák Ivan (Recenzent)
Kyseľ Ondrej 1937- (Recenzent)
Urban Miroslav (Recenzent)
Issue data Banská Bystrica : Vydavateľstvo Univerzity Mateja Bela - Belianum , 2013. - 235 s. Issue 1. vyd. ISBN 978-80-557-0641-2 Keywords chemické väzby kvantová mechanika - quantum mechanics chémia - chemistry chemical bonds Language Slovak Country Slovak Republic systematics 54 530.145 Public work category ACB No. of Archival Copy 29370 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ 
book
Title Theoretical study of electronic absorptions in aminopyridines - TCNE CT complexes by quantum chemical methods, including solvent Author info Pavel Mach, György Juhász, Ondrej Kyseľ Author Mach Pavel (34%)
Co-authors Juhász György (33%)
Kyseľ Ondrej 1937- (33%) UMBFP08 - Katedra chémie
Source document Journal of Molecular Modeling. Vol. 19, no. 11 (2013), pp. 4639-4650. - Heidelberg : Springer-Verlag, 2013 Keywords Aminopyridín quantum chemical methods excitačná energia Language English Country United States of America systematics 54 Public work category ADC No. of Archival Copy 27651 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised
Title Ľubietová - štúdium zloženia a sorpčných vlastností ílových minerálov ako prírodných Par.title Ľubietová - Study of composition and sorptive properties of clay minerals as natural sorbents for toxic minerals Author info Martina Sýkorová, Iveta Nagyová Author Sýkorová Martina 1986- (50%)
Co-authors Nagyová Iveta 1960- (50%) UMBFP08 - Katedra chémie
Source document Acta Universitatis Matthiae Belii, 14 : séria chémia. S. 12-20. - Banská Bystrica : Univerzita Mateja Bela, Fakulta prírodných vied, 2012 / Tölgyessy Juraj ; Skoršepa Marek 1976- ; Kyseľ Ondrej 1937- ; Silný Peter ; Hroncová Emília 1977- ; Šeršeň František Keywords toxické kovy - toxic metals haldové polia kyslé banské vody Headings Geogr. Ľubietová - Podlipa Language Slovak Country Slovak Republic systematics 54 Public work category AED No. of Archival Copy 23450 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ 
article