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Title Relativistic coupled-cluster calculations of spectroscopic properties of copernicium and flerovium monoxides Author info Artem A. Kotov ... [et al.] Author Kotov Artem A. (40%)
Co-authors Kozhedub Yury S. (5%)
Glazov Dmitry A. (5%)
Iliaš Miroslav 1975- (40%) UMBFP08 - Katedra chémie
Pershina Valeria (5%)
Shabaev Vladimir M. (5%)
Source document ChemPhysChem. Vol. 24, no. 6 (2023), pp. 1-9. - Weinheim : Wiley-VCH, 2023 Keywords relativistické výpočty kvantovo-chemické výpočty molekuly - molecules DIRAC (softvér) - DIRAC (software) Form. Descr. články - journal articles Language English Country Germany Annotation Calculations of spectroscopic properties of the CnO and FlO molecules are performed using ab initio all-electron 4c- and 2c-relativistic coupled-cluster approaches with single, double, and perturbative triple excitations. URL Link na plný text Public work category ADC No. of Archival Copy 52962 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
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Title Mechanochemical arylative detrifluoromethylation of trifluoromethylarenes Author info Satenik Mkrtchyan ... [et al.] Author Mkrtchyan Satenik 1986- (25%) UMBFP08 - Katedra chémie
Co-authors Shkoor Mohanad (5%)
Sarfaraz Sehrish (5%)
Ayub Khurshid (5%)
Iaroshenko Viktor O. 1980- (60%) UMBFP08 - Katedra chémie
Source document Organic and Biomolecular Chemistry. Vol. 21, no. 32 (2023), pp. 6549-6555. - Londýn : The Royal Society of Chemistry, 2023 Keywords molekuly - molecules organická chémia - organic chemistry chemické väzby Form. Descr. články - journal articles Language English Country Great Britian URL Link na zdrojový dokument Public work category ADC No. of Archival Copy 53529 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika article
Title A new computational tool for interpreting the infrared spectra of molecular complexes Author info Alexis Iglesias-Reguant ... [et al.] Author Iglesias-Reguant Alex (30%)
Co-authors Reis Heribert (10%)
Medveď Miroslav 1971- (10%) UMBFP08 - Katedra chémie
Luis Josep M. (25%)
Zalésny Robert (25%)
Source document Physical Chemistry Chemical Physics. Vol. 25, no. 16 (2023), pp. 11658-11664. - Londýn : The Royal Society of Chemistry (RSC), 2023 Keywords infračervená spektroskopia - infrared spectroscopy molekuly - molecules organická chémia - organic chemistry interakcie Form. Descr. články - journal articles Language English Country Great Britian URL Link na plný text Public work category ADC No. of Archival Copy 53378 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika article
Title Thermal isomerization of phenylazoindoles: inversion or rotation? That is the question Author info Lea Hegedüsová ... [et al.] Author Hegedüsová Lea (16%)
Co-authors Kuteľ Rastislav (16%)
Medveď Miroslav 1971- (16%) UMBFP08 - Katedra chémie
Pašteka Lukáš Felix (16%)
Cigáň Marek (18%)
Budzák Šimon 1982- (18%) UMBFP08 - Katedra chémie
Source document International Journal of Quantum Chemistry. Vol. 123, no. 24 (2023), pp. [1-13]. - Hoboken : Wiley-Blackwell, 2023 Keywords fotoprepínače - photoswitches molekuly - molecules spektroskopia - spectroscopy Form. Descr. články - journal articles Language English Country United States of America URL Link na zdrojový dokument Public work category ADC No. of Archival Copy 53644 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika article
Title Výpočty NMR parametrov markera bojovej otravnej látky GV Par.title Calculations of NMR parameters of the GV nerve agent marker Author info Peter Vaňo, Martin Vaňo, Miroslav Iliaš Author Vaňo Peter (5%)
Co-authors Vaňo Martin (5%)
Iliaš Miroslav 1975- (90%) UMBFP08 - Katedra chémie
Source document Študentská vedecká konferencia 2022 : zborník recenzovaných príspevkov. S. 286-292. - Banská Bystrica : Univerzita Mateja Bela, 2022 / Spišiak Ján 1953- ; Račáková Slavka 1978- ; Voštinár Patrik 1988- ; Vagač Michal 1977- ; Študentská vedecká konferencia 2022 online vedecká konferencia Keywords markery - markers bojové chemické látky bojové otravné látky - chemical warfare agents molekuly - molecules Form. Descr. príspevky v zborníku - proceedings papers Language Slovak Country Slovak Republic Annotation Pre netoxický marker bojovej otravnej látky GV zo skupiny organofosfátov sme vypočítali hodnoty NMR parametrov, a to pomocou kvantovo-chemických programov ADF a NWChem. Získané výsledky posunu študovaného atómu 31P a jednej konštanty spinspinového štiepenia v simulovanom prostredí rozpúšťadla sú porovnávané voči publikovaným experimentálnym hodnotám. URL Link na plný text Public work category AFD No. of Archival Copy 51878 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ article
Title Nuclear spin-dependent parity-violating effects in light polyatomic molecules Author info Yongliang Hao, Petr Navrátil ... [et al.] Author Hao Yongliang (16%)
Co-authors Navrátil Petr (12%)
Norrgard Eric B. (12%)
Iliaš Miroslav 1975- (12%) UMBFP08 - Katedra chémie
Eliav Ephraim (12%)
Timmermans Rob G. E. (12%)
Flambaum V. V. (12%)
Borschevsky Anastasia (12%)
Source document Physical Review A : covering atomic, molecular, and optical physics and quantum information. Vol. 102, no. 5 (2020), pp. 052828-1-052828-14. - Maryland : American Physical Society, 2020 Keywords nuclear-spin-dependent molekuly - molecules molecular structures merania - measurements Form. Descr. články - journal articles Language English Country United States of America URL Link na plný text Public work category ADC No. of Archival Copy 48738 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika article
Title Molecular data reveal unrecognized diversity in the European ganoderma resinaceum Author info Kateřina Náplavová ... [et al.] Author Náplavová Kateřina (10%)
Co-authors Beck Terézia 1990- (20%) UMBFP09 - Katedra biológie a ekológie
Pristaš Peter 1962- (20%)
Gáperová Svetlana 1964- (10%) UMBFP09 - Katedra biológie a ekológie
Šebesta Martin (10%)
Piknová Mária (10%)
Gáper Ján (20%)
Source document Forests. Vol. 11, no. 8 (2020), pp. [1-13]. - Basel : MDPI, 2020 Keywords drevné huby - wood mushrooms trúdniky molekuly - molecules analýzy - analysis diverzita - diversity Form. Descr. články - journal articles Language English Country Switzerland Annotation Ganoderma resinaceumBoud. is commonly found in Mediterranean region, but rarely in Western, Central or Eastern Europe. It is a parasitic basidiomycetous fungus causing stem decay-especially in urban trees. A collection of nine fungal specimens from Slovakia (Central Europe), morphologically identified asG. resinaceum, was recently studied on the basis of sequence data from the internal transcribed spacer (ITS) regions. Analyses showed that the collections clustered into two separate groups. In this study-for the first time-the sequences of other molecular markers, namely partial translation elongation factor (tef1-alpha) region and partial 25S large subunit ribosomal RNA gene (25S LSU rRNA), as well as matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS) were obtained and used to evaluate the genetic variability ofG. resinaceum. All these analyses confirm the existence of two previously unrecognized genotypes within the morphospecies. URL Link na plný text Public work category ADC No. of Archival Copy 48525 Repercussion category CAMPI, Michelle - MANCUELLO, Claudia - FERREIRA, Francisco - MAUBET, Yanine - CRISTALDO, Enzo - ROBLEDO, Gerardo. Bioactive compounds and antioxidant activity of four native species of the ganodermataceae family (agaricomycetes) from Paraguay. In International journal of medicinal mushrooms. ISSN 1521-9437, 2021, vol. 23, no. 8, pp. 65-76.
SUN, Y-F - XING, J-H - HE, X-L - WU, D-M - SONG, C-G - LIU, S. - VLASAK, J. - GATES, G. - GIBERTONI, T. B. - CUI, B-K. Species diversity, systematic revision and molecular phylogeny of ganodermataceae (Polyporales, Basidiomycota) with an emphasis on Chinese collections. In Studies in mycology. ISSN 0166-0616, 2022, no. 101, pp. 287-415.
YANG, Hong-De - DING, Yong - WEN, Ting-Chi - HAPUARACHCHI, Kalani Kanchana - WEI, De-Ping. Ganoderma ovisporum sp. nov. (Polyporales, Polyporaceae) from Southwest China. In Biodiversity data journal. ISSN 1314-2836, 2022, vol. 10, art. no. e80034, pp. 1-31.
NUR-SHAKIRAH, Abdul Omar - KHADIJAH, Mohd Safie - KEE, Yee Jia - HUDA-SHAKIRAH, Abd Rahim - HAFIFI, Abu Bakar Mohd - NURUL-ALIYAA, Yakath Ali - CHEW, Bee Lynn - ZAKARIA, Latiffah - NOR, Nik Mohd Izham Mohamed - SREERAMANAN, Subramaniam - LEONG, Yin-Hui - MOHD, Masratul Hawa. Characterization of Lasiodiplodia species causing leaf blight, stem rot and fruit rot of fig (Ficus carica) in Malaysia. In Plant pathology. ISSN 0032-0862, 2022, vol. 71, no. 7, pp. 1594-1605.
HE, Mao-Qiang - ZHAO, Rui-Lin - LIU, Dong-Mei - DENCHEV, Teodor T. - BEGEROW, Dominik - YURKOV, Andrey - KEMLER, Martin - MILLANES, Ana M. - WEDIN, Mats - MCTAGGART, A. R. - SHIVAS, Roger G. - BUYCK, Bart - CHEN, Jie - VIZZINI, Alfredo - PAPP, Viktor - ZMITROVICH, Ivan - DAVOODIAN, Naveed - HYDE, Kevin D. Species diversity of basidiomycota. In Fungal diversity. ISSN 1560-27452022, 2022, vol. 114, no. 1, special issue, pp. 281-325.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
unrecognised
Title Optical properties of V-shaped bis-coumarins: Ab initio insights Author info Šimon Budzák ... [et al.] Author Budzák Šimon 1982- (20%) UMBFP08 - Katedra chémie
Co-authors Charaf-Eddin Azzam (20%)
Medveď Miroslav 1971- (20%) UMBFP08 - Katedra chémie
Gryko Daniel T. (20%)
Jacquemin Denis (20%)
Source document Computational and Theoretical Chemistry. Vol. 1076 (2016), pp. 57-64. - Amsterdam : Elsevier B.V., 2016 Keywords chémia - chemistry molekuly - molecules molecular theory Language English Country Netherlands systematics 54 Annotation Using a series of ab initio approaches, we investigate the optical spectra of recently synthesised fluorescent bis-coumarins (Tasior et al., 2014). We show that the complex absorption spectra of several derivatives originate in the overlapping of contributions from energetically-close excited-states. These states have been carefully characterised using TD-DFT, ADC(2) and CC2 levels of theory and accounting for solvent effects using the corrected linear response PCM scheme. We show how such a refined protocol is both necessary and useful to investigate photophysics of these bis-coumarins. In addition to an analysis of the nature of the excited-states of these systems, the vibrationally-resolved spectrum was determined for the parent molecule. (C) 2015 Elsevier B.V. All rights reserved. URL Link do databázy WoS Public work category ADC No. of Archival Copy 37527 Repercussion category DA ROCHA, Eduardo P. - RODRIGUES, Henrique A. - DA CUNHA, Elaine F. F. - RAMALHO, Teodorico C. Probing kinetic and thermodynamic parameters as well as solvent and substituent effects on spectroscopic probes of 2-amino-1,4-naphthoquinone derivatives. In Computational and theoretical chemistry. ISSN 2210-271X, 2016, vol. 1096, pp. 17-26.
EL-DAFRAWY, Shady M. - HASSAN, Shawky M. - FARAG, Mervat. Kinetics and mechanism of Pechmann condensation reaction over sulphated zirconia-supported zinc oxide. In Journal of materials research and technology. ISSN 2238-7854, 2020, vol. 9, no. 1, pp. 13-21.
PORNSATITWORAKUL, Suwapich - BOEKFA, Bundet - MAIHOM, Thana - TREESUKOL, Piti - NAMUANGRUK, Supawadee - JARUSSOPHON, Suwatchai - JARUSSOPHON, Nongpanga - LIMTRAKUL, Jumras. The coumarin synthesis : a combined experimental and theoretical study. In Monatshefte für Chemie. ISSN 0026-9247, 2017, vol. 148, no. 7, pp. 1245-1250.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised
Title Properties of molecular systems using large-scale cc calculations Author info Pavel Neogrády ... [et al.] Author Neogrády Pavel (30%)
Co-authors Pitoňák Michal (30%)
Melicherčík Miroslav 1984- (20%)
Hobza Pavel (10%)
Urban Miroslav
Source document Chemické listy. Roč. 104, č. 6 (2010), s. 473. - Praha : Česká společnost chemická, 2010 ; 62. sjezd asociací českých a slovenských chemických společností při příležitosti oslav šedesátého výročí vysokého školství v Pardubicích Keywords klastre - clusters molekuly - molecules Language English Country Czech Republic systematics 54 Public work category AFG No. of Archival Copy 29774 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika article