Search results
Title Výpočet NMR tieniacich konštánt yperitu Subtitle diplomová práca Author info Tomáš Valachovič; školiteľ: Miroslav Iliaš Author Valachovič Tomáš
Another authors Iliaš Miroslav 1975- (Školiteľ (konzultant))
Corporation Univerzita Mateja Bela . Fakulta prírodných vied . Katedra chémie , Banská Bystrica, Slovensko Issue data Banská Bystrica , 2021. - 65 s. Keywords bojové chemické látky kvantová chémia - quantum chemistry yperity Form. Descr. diplomové práce - master’s theses Language Slovak Country Slovak Republic systematics 54 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xk - Kvalifikačné práce Copy count 1, currently available 0, at library only 1 
book
Title Kvantovo-chemické výpočty NMR spektier vybraných drog Subtitle diplomová práca Author info Monika Volčková; školiteľ: Miroslav Iliaš Author Volčková Monika
Another authors Iliaš Miroslav 1975- (Školiteľ (konzultant))
Corporation Univerzita Mateja Bela . Fakulta prírodných vied . Katedra chémie , Banská Bystrica, Slovensko Issue data Banská Bystrica , 2020. - 62 s. Keywords kvantová chémia - quantum chemistry kvantovo-chemické výpočty drogy - drugs Form. Descr. diplomové práce - master’s theses Language Slovak Country Slovak Republic systematics 544 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xk - Kvalifikačné práce Copy count 1, currently available 0, at library only 1 book
Title The DIRAC code for relativistic molecular calculations Author info Trond Saue, Radovan Bast ... [et al.] Author Saue Trond (5%)
Co-authors Bast Radovan (3%)
Gomes André Severo Pereira (3%)
Jensen Hans Jørgen Aa. (3%)
Visscher Lucas (3%)
Aucar Ignacio Agustín (3%)
Di Remigio Roberto (3%)
Dyall Kenneth G. (3%)
Eliav Ephraim (3%)
Fasshauer Elke (3%)
Fleig Timo (3%)
Halbert Loïc (3%)
Hedegård Erik Donovan (3%)
Helmich-Paris Benjamin (3%)
Iliaš Miroslav 1975- (20%) UMBFP08 - Katedra chémie
Jacob Christoph R. (3%)
Knecht Stefan (3%)
Laerdahl Jon K. (3%)
Vidal Marta L. (3%)
Nayak Malaya K. (3%)
Olejniczak Małgorzata (3%)
Olsen Jógvan Magnus Haugaard (3%)
Pernpointner Markus (3%)
Senjean Bruno (3%)
Shee Avijit (3%)
Sunaga Ayaki (3%)
van Stralen Joost N. P. (3%)
Source document The Journal of Chemical Physics. Vol. 152, no. 20 (2020), pp. 204104-1-204104-17. - New York : American Institute of Physics, 2020 Keywords DIRAC (softvér) - DIRAC (software) relativistická kvantová chémia molecular descriptors Form. Descr. články - journal articles Language English Country United States of America Annotation ABSTRACT DIRAC is a freely distributed general-purpose program system for one-, two-, and four-component relativistic molecular calculations at the level of Hartree–Fock, Kohn–Sham (including range-separated theory), multiconfigurational self-consistent-field, multireference configuration interaction, electron propagator, and various flavors of coupled cluster theory URL Link na plný text Public work category ADC No. of Archival Copy 47759 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
unrecognised
Title Electric properties of hydrated uracil: from micro- to macrohydration Author info Tomáš Hrivnák ... [et al.] Author Hrivnák Tomáš (30%)
Co-authors Budzák Šimon 1982- (15%) UMBFP08 - Katedra chémie
Reis Heribert (10%)
Zaleśny Robert 1977- (10%)
Carbonnière Philippe (15%)
Medveď Miroslav 1971- (20%) UMBFP08 - Katedra chémie
Source document Journal of Molecular Liquids. Vol. 275 (2019), pp. 338-346. - Amsterdam : Elsevier B.V., 2019 Keywords elektrické vlastnosti chemické zlúčeniny - chemical compounds kvantová chémia - quantum chemistry molekulárna dynamika interakcie Form. Descr. články - journal articles Language English Country Netherlands Public work category ADC No. of Archival Copy 47160 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised
Title Partitioning of interaction-induced nonlinear optical properties of molecular complexes. I. Hydrogen-bonded systems Author info Robert Zaleśny, Miroslav Medveď ... [et al.] Author Zaleśny Robert 1977- (40%)
Co-authors Medveď Miroslav 1971- (15%) UMBFP08 - Katedra chémie
Góra Robert W. (15%)
Reis Heribert (15%)
Luis Josep M. (15%)
Source document Physical Chemistry Chemical Physics. Vol. 20, no. 30 (2018), pp. 19841-19849. - Cambridge : The Royal Society of Chemistry (RSC), 2018 Keywords nonlinear optical properties kvantová chémia - quantum chemistry Form. Descr. články - journal articles Language English Country Great Britian systematics 54 URL Link na zdrojový dokument Public work category ADC No. of Archival Copy 44375 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised
Title Interaction induced NLO properties of charge transfer pi-stacking complexes Author info Miroslav Medveď ... [et al.] Author Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Co-authors Reis Heribert (25%)
Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Zaleśny Robert 1977- (25%)
Source document Multi-Responsive Chromophores : MRP conference, Nantés, April 25-28, 2016. P. 75. - Nantés : Université de Nantés, 2016 ; Multi-Responsive Chromophores konferencia Keywords NLO vlastnosti - NLO properties kvantová chémia - quantum chemistry Language English Country France systematics 54 Public work category BFA No. of Archival Copy 37650 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised
Title Relativistic quantum chemistry Subtitle the fundamental theory of molecular science Author info Markus Reiher, Alexander Wolf Author Reiher Markus
Co-authors Wolf Alexander
Issue data Weinheim : Wiley-VCH , 2015. - xxv; 737 s. : gr., obr., tab., 25 cm Issue [2nd ed.] ISBN 978-3-527-33415-5 Note Bibliografia s. 675-724. Register Keywords chémia - chemistry kvantová chémia - quantum chemistry relativistická kvantová chémia relativistic quantum chemistry Language English Country Germany systematics 544 544.18 530.145 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xkni - BOOKS Copy count 1, currently available 0, at library only 1 
book
Call number Location Sublocation Umiestnenie Info 349284 Univerzita Mateja Bela Department of chemistry In-Library Use Only Title Kvantově chemické algoritmy pro kvantové počítače Author info Jakub Višňák Author Višňák Jakub
Issue data Praha : Academia , 2014. - 222 s. : gr., tab., 20 cm Issue 1. vyd. Edition Studentské práce ISBN 978-80-200-2358-2 Note Bibliografia s. 212-217 Keywords kvantové výpočty - quantum computing kvantová chémia - quantum chemistry kvantové počítače - quantum computers Language Czech Country Czech Republic systematics 004 004.38:530.145.6 004.832:530.145.6 544.18 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xkni - BOOKS Copy count 1, currently available 1 
book
Call number Location Sublocation Umiestnenie Info 350370 Univerzita Mateja Bela Department of absent lending Title Materials modelling using density functional theory Subtitle properties and predictions Author info Feliciano Giustino Author Giustino Feliciano
Issue data Oxford : Oxford University Press , 2014. - xiv; 286 s. : gr., obr., tab., 25 cm Issue 1st ed. ISBN 978-0-19-966244-9 Note Bibliografia s. 264-283. Register Keywords kvantová mechanika - quantum mechanics kvantová teória - quantum theory kvantová chémia - quantum chemistry teória funkcionálu hustoty modelovanie materiálov density functional theory materials modelling Language English Country Great Britian systematics 544.18 530.145 539.2 620 620.1 620.22 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xkni - BOOKS Copy count 1, currently available 1 
book
Call number Location Sublocation Umiestnenie Info 350927 Univerzita Mateja Bela Department of absent lending Title Ideas of quantum chemistry Author info Lucjan Piela Author Piela Lucjan
Issue data Waltham : Elsevier , 2014. - xxxv, 1037 s. : il., 24 cm Issue 2nd ed. ISBN 978-0-444-59436-5 Note Bibliografické odkazy. Register Keywords kvantová chémia - quantum chemistry fyzikálna chémia - physical chemistry Schrödingerova rovnica - Schrödiger equations chemické reakcie - chemical reactions Form. Descr. učebnice - textbooks, príručky - handbooks Language English Country United States of America systematics 544.18 544 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xkni - BOOKS Copy count 2, currently available 0, at library only 2 
book
Call number Location Sublocation Umiestnenie Info 343060 Univerzita Mateja Bela Department of chemistry In-Library Use Only 377823 Univerzita Mateja Bela Department of chemistry In-Library Use Only
