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Title Molecular structures and thermodynamic properties of monohydrated gaseous iodine compounds: Modelling for severe accident simulation Author info Mária Sudolská ... [et al.] Author Sudolská Mária (50%)
Co-authors Cantrel Laurent (10%)
Budzák Šimon 1982- (20%) UMBFP08 - Katedra chémie
Černušák Ivan (20%)
Source document Journal of Nuclear Materials. Vol. 446, no. 1-3 (2014), pp. 73-80. - Amsterdam : Elsevier B.V., 2014 Keywords molekulová štruktúra termodynamika - thermodynamics monohydratované komplexy zlúčenín jódu molecular structures monohydrated gaseous iodine compounds Language English Country Netherlands systematics 544.432 Public work category ADC No. of Archival Copy 27778 Repercussion category RAMOS-SANCHEZ, V. H. - JEANS, R. - ELDER, R. H. - ZARAGOZA-GALAN, G. - DEVONSHIRE, R. A unique approach to the vapour phase of the HIx feed of the sulfur iodine thermochemical cycle : a Raman spectroscopy study. In International journal of hydrogen energy. ISSN 0360-3199, 2015, vol. 40, no. 4, pp. 1657-1664.
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 Weakly interacting molecular clusters of CO with H2O, SO2, and NO+ Author info Šimon Budzák ... [et al.] Author Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Co-authors Carbonniere Philippe (25%)
Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Černušák Ivan (25%)
Source document Molecular Physics. Vol. 112, no. 24 (2014), pp. 3225-3236. - Abingdon : Taylor & Francis Group, 2014 Keywords slabé interakcie oxid uhoľnatý CCSD(T) termochémia weak interactions carbon monoxide thermochemistry Language English Country Great Britian systematics 54 Public work category ADC No. of Archival Copy 31401 Repercussion category KIM, Hahn - VAN DUNG DOAN - CHO, Woo Jong - VALERO, Rosendo - TEHRANI, Zahra Aliakbar - MADRIDEJOS, Jenica Marie L. - KIM, Kwang S. Intriguing electrostatic potential of CO : negative Bond-ends and positive Bond-cylindrical-surface. In Scientific reports. ISSN 2045-2322, 2015, vol. 5, art. no. 16307, pp. 1-9.
LOVAS, F. J. - SPRAGUE, M. K. Microwave rotational spectral study of SO2-CO. In Journal of molecular spectroscopy. ISSN 0022-2852, 2015, vol. 316, pp. 49-53.
RYAZANTSEV, Sergey V. - DUARTE, Luis - FELDMAN, Vladimir I. - KHRIACHTCHEV, Leonid. VUV photochemistry of the H2O center dot center dot center dot CO complex in noble-gas matrices : formation of the OH center dot center dot center dot CO complex and the HOCO radical. In Physical chemistry chemical physics. ISSN 1463-9076, 2017, vol. 19, no. 1, pp. 356-365.
KALUGINA, Y. N. - FAURE, A. - VAN DER AVOIRD, A. - WALKER, K. - LIQUE, F. Interaction of H2O with CO : potential energy surface, bound states and scattering calculations. In Physical chemistry chemical physics. ISSN 1463-9076, 2018, vol. 20, no. 8, pp. 5469-5477.
BARCLAY, A. J. - VAN DER AVOIRD, A. - MCKELLAR, A. R. W. - MOAZZEN-AHMADI, N. The water-carbon monoxide dimer : new infrared spectra, ab initio rovibrational energy level calculations, and an interesting intermolecular mode. In Physical chemistry chemical physics. ISSN 1463-9076, 2019, vol. 21, no. 27, pp. 14911-14922.
LIU, Yang - LI, Jun. An accurate full-dimensional permutationally invariant potential energy surface for the interaction between H2O and CO. In Physical chemistry chemical physics. ISSN 1463-9076, 2019, vol. 21, no. 43, pp. 24101-24111.
OREK, Cahit - UMINSKI, Marcin - KLOS, Jacek - LIQUE, Francois - ZUCHOWSKI, Piotr S. - BULUT, Niyazi. NO+ + H-2: potential energy surface and bound state calculations. In Chemical physics letters. ISSN 0009-2614, 2021, vol. 771, art. no. 138511, pp. 1-9.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 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 Základy numerickej matematiky pre prírodovedcov Subtitle s príkladmi v Microsoft Excel 2010 : Microsoft Office 2010 Author info Ivan Černušák ... [et al.] Author Černušák Ivan
Issue data Banská Bystrica : Fakulta prírodných vied Univerzity Mateja Bela , 2012. - 118 s. : gr., il., tab., 30 cm Issue 2. vyd. ISBN 978-80-557-0277-3 Note Bibliografia s. 115-117. Register Keywords numerická matematika - numerical mathematics prírodovedci - naturalists Microsoft Excel 2010 (softvér) - Microsoft Excel 2010 (software) Microsoft Office 2010 (softvér) - Microsoft Office 2010 (software) Form. Descr. učebnice vysokých škôl - textbooks (higher) Language Slovak Country Slovak Republic systematics 519.6 168.521 004.42Excel 004.42Office Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xkni - BOOKS Copy count 25, currently available 23, at library only 2 
book
Call number Location Sublocation Umiestnenie Info 330782 Univerzita Mateja Bela Universal reading room In-Library Use Only 330783 Univerzita Mateja Bela Department of absent lending 330784 Univerzita Mateja Bela Department of absent lending 330785 Univerzita Mateja Bela Department of absent lending 330786 Univerzita Mateja Bela Department of absent lending 330787 Univerzita Mateja Bela Department of absent lending 330788 Univerzita Mateja Bela Department of absent lending 330789 Univerzita Mateja Bela Department of absent lending 330790 Univerzita Mateja Bela Department of absent lending 330791 Univerzita Mateja Bela Department of absent lending 330792 Univerzita Mateja Bela Department of absent lending 330793 Univerzita Mateja Bela Department of chemistry In-Library Use Only 374516 Univerzita Mateja Bela Department of absent lending 374517 Univerzita Mateja Bela Department of absent lending 374518 Univerzita Mateja Bela Department of absent lending 374519 Univerzita Mateja Bela Department of absent lending 374520 Univerzita Mateja Bela Department of absent lending 374521 Univerzita Mateja Bela Department of absent lending 374522 Univerzita Mateja Bela Department of absent lending 374523 Univerzita Mateja Bela Department of absent lending 374524 Univerzita Mateja Bela Department of absent lending 374525 Univerzita Mateja Bela Department of absent lending 374526 Univerzita Mateja Bela Department of absent lending 374527 Univerzita Mateja Bela Department of absent lending 374528 Univerzita Mateja Bela Department of absent lending Title Základy numerickej matematiky pre prírodovedcov Subtitle s príkladmi v Microsoft Excel Author info Ivan Černušák ... [et al.]; rec. Andrej Antušek, Vladimír Janiš Author Černušák Ivan (20%)
Co-authors Neogrády Pavel (20%)
Noga Jozef (20%)
Iliaš Miroslav 1975- (20%) UMBEF - Ekonomická fakulta
Pitoňák Michal (20%)
Another authors Antušek Andrej (Recenzent)
Janiš Vladimír 1963- (Recenzent)
Issue data Banská Bystrica : Fakulta prírodných vied Univerzity Mateja Bela , 2012. - 118 s. Issue 2. vyd. ISBN 978-80-557-0277-3 Keywords numerická matematika - numerical mathematics prírodovedci - naturalists vysokoškolské učebnice - učebnice vysokých škôl university textbooks Language Slovak Country Slovak Republic systematics 519.6 168.521 Public work category ACB No. of Archival Copy 22551 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ book
Title NLO responses of π-conjugated oligomers containing carbon, boron and nitrogen skeleton atoms Author info Miroslav Medveď ... [et al.] Author Medveď Miroslav 1971- (20%) UMBFP08 - Katedra chémie
Co-authors Budzák Šimon 1982- (20%) UMBFP08 - Katedra chémie
Černušák Ivan (20%)
Jacquemin Denis (20%)
Perpéte Eric A. (20%)
Source document Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists - WATOC 2011. S. PII 022. - Paris : WATOC - World Association of Theoretical and Computational Chemists, 2011 ; Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists - WATOC 2011 Keywords NLO odozvy pí-konjugované polyméry NLO responses pí-conjugated oligomers Language English Country Spain systematics 54 Public work category BFA No. of Archival Copy 21545 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised
Title Applicability of graphical processing units to coupled clusters calculations Par.title Aplikovateľnosť grafických kariet na výpočty spriahnutých klastrov Author info Miroslav Melicherčík ... [et al.] Author Melicherčík Miroslav 1984- (25%)
Co-authors Demovič Lukáš (25%)
Pitoňák Michal (25%)
Neogrády Pavel (25%)
Source document The 9th Central European Symposium on Theoretical Chemistry : book of abstracts : Nový Smokovec, September 12 - 15, 2010. S. 97-98. - Bratislava : Univerzita Komenského, 2010 / Noga Jozef ; Melicherčík Miroslav 1984- ; Černušák Ivan Keywords klastre - clusters grafické karty graphic cards Language English Country Slovak Republic systematics 004.3 Public work category AFH No. of Archival Copy 29865 Repercussion category DEPRINCE, A. Eugene - HAMMOND, Jeff R. Coupled cluster theory on graphics processing Units I. The coupled cluster doubles method. In Journal of chemical theory and computation. ISSN 1549-9618, 2011, vol. 7, no. 5, pp. 1287-1295.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ 
article
Title The 9th Central European Symposium on Theoretical Chemistry Subtitle book of abstracts Nový Smokovec, September 12 - 15, 2010 Author info ed. Jozef Noga, Miroslav Melicherčík, Ivan Černušák Another authors Noga Jozef (Licensor)
Melicherčík Miroslav 1984- (Licensor)
Černušák Ivan (Licensor)
Issue data Bratislava : Univerzita Komenského , 2010 Issue 1. vyd. ISBN 978-80-223-2907-1 Language English Country Slovak Republic Public work category FAI Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References (2) - PUBLIKAČNÁ ČINNOSŤ book
Title Weak interactions between air pollutants Author info Šimon Budzák, Ivan Černušák, Miroslav Medveď Author Budzák Šimon 1982- (34%) UMBFP08 - Katedra chémie
Co-authors Černušák Ivan (33%)
Medveď Miroslav 1971- (33%) UMBFP08 - Katedra chémie
Source document The 9th Central European Symposium on Theoretical Chemistry : book of abstracts : Nový Smokovec, September 12 - 15, 2010. S. 67-68. - Bratislava : Univerzita Komenského, 2010 / Noga Jozef ; Melicherčík Miroslav 1984- ; Černušák Ivan Keywords CO NO H2O slabé interakcie weak interactions Language English Country Slovak Republic systematics 54 Public work category AFL No. of Archival Copy 16889 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised
Title High second-order NLO responses of dehydrogenated hydrogen cyanide borane(1) oligomers Author info Miroslav Medveď, Šimon Budzák, Ivan Černušák Author Medveď Miroslav 1971- (40%) UMBFP08 - Katedra chémie
Co-authors Budzák Šimon 1982- (30%) UMBFP08 - Katedra chémie
Černušák Ivan (30%)
Source document Journal of Molecular Structure : THEOCHEM. Vol. 961, no. 1-3 (2010), pp. 66-72. - Amsterdam : Elsevier B.V., 2010 Keywords nonlinear optical properties oligomers electron delocalization unit cell asymmetry electron correlation Language English Country Netherlands systematics 54 Public work category ADC No. of Archival Copy 18024 Repercussion category SI, Yanling - YANG, Guochun. Computational study of chiral molecules with high intrinsic hyperpolarizabilities. In Molecular physics. ISSN 0026-8976, 2012, vol. 110, no. 6, pp. 333-341.
QIN, Chunsheng - SI, Yanling - YANG, Guochun - SU, Zhongmin. Quantum chemical study of structures, electronic spectrum, and nonlinear optical properties of polynuclear lithium compounds. In Computational and theoretical chemistry. ISSN 2210-271X, 2011, vol. 966, no. 1-3, pp. 14-19.
LIU, Yan - YANG, Guochun - SUN, Shiling et al. Theoretical study on the second-order nonlinear optical properties of C,B-subtituted carborane conjugated derivatives. In Journal of theoretical & computational chemistry. ISSN 0219-6336, 2012, vol. 11, no. 5, pp. 1121-1133.
BARANOWSKA-LACZKOWSKA, Angelika - BARTKOWIAK, Wojciech - GORA, Robert W. et al. On the performance of long-range-corrected density functional theory and reduced-size polarized LPol-n basis sets in computations of electric dipole (hyper)polarizabilities ofconjugated molecules. In Journal of computational chemistry. ISSN 0192-8651, 2013, vol. 34, no. 10, pp. 819-826.
BULIK, I.W. - ZALEŚNY, R. - BARTKOWIAK, W. et al. Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities. In Journal of computational chemistry. ISSN 0192-8651, 2013, vol. 34, no. 20, pp. 1775-1784.
GHIASI, Reza - GHOLIPOUR, Forough. Borazine-based conjugated derivatives : structural, electronic, and optical properties. In Russian journal of physical chemistry A. ISSN 0036-0244, 2014, vol. 88, no. 6, pp. 984-994.
GHIASI, Reza - AKBARI, Sara. A density functional theory study on structrue and properties of benzene and borazine-based chromophores. In Journal of the Chilean chemical society. ISSN 0717-9707, 2014, vol. 59, no. 4, pp. 2666-2673.
ZOUAOUI-RABAH, M. - SEKKAL-RAHAL, M. - DJILANI-KOBIBI, F. - ELHORRI, A. M. - SPRINGBORG, M. Performance of hybrid DFT compared to MP2 methods in calculating nonlinear optical properties of divinylpyrene derivative molecules. In Journal of physical chemistry A. ISSN 1089-5639, 2016, vol. 120, no. 44, pp. 8843-8852.
MISHUROV, D. - VORONKIN, A. - ROSHAL, A. Hydroxyflavone-containing polymers : theoretical prediction of spectral and nonlinear optical properties. In Functional materials. ISSN 1027-5495, 2019, vol. 26, no. 1, pp. 164-173.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised
