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Title Journal of Molecular Modeling Issue data Heidelberg : Springer-Verlag , 2014 ISSN 1610-29400948-5023 Form. Descr. časopisy - journals, elektronické časopisy - electronic journals Year, No. Vol. 20 no. 6 (2014) Language English Country Germany URL Link na zdrojový dokument Public work category GII Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References - PERIODIKÁ - Súborný záznam periodika (1) - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika ARTICLES 2014: Theoretical study of charge transfer complexes between antithyroid thioamides and TCNE: electronic CT transitions 
journal
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 Journal of Molecular Modeling Issue data Heidelberg : Springer-Verlag , 2013 ISSN 1610-29400948-5023 Form. Descr. časopisy - journals, elektronické časopisy - electronic journals Year, No. Vol. 19 no. 11 (2013) Language English Country Germany URL Link na zdrojový dokument Public work category GII Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References - PERIODIKÁ - Súborný záznam periodika (1) - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika ARTICLES 2013: Theoretical study of electronic absorptions in aminopyridines-TCNE CT complexes by quantum chemical methods, including solvent journal
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