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Názov Chemistry Podnázov an atoms first approach Aut.údaje Steven S. Zumdahl, Susan A. Zumdahl Autor Zumdahl Steven S.
Spoluautori Zumdahl Susan A.
Vyd.údaje [S. l.] : Brooks/Cole , 2012. - xvii; 1038 s. : fotogr., obr., tab., 28 cm Vydanie 1st ed. Edícia International Edition ISBN 978-0-8400-6586-5, 0-8400-6586-8 Poznámka Register Kľúč.slová chémia - chemistry atómy molekuly - molecules atoms Jazyk dok. angličtina Krajina Austrália Systematika 54 544.112 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xkni - KNIHY Počet ex. 1, z toho voľných 1 
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Signatúra Lokácia Dislokácia Umiestnenie Info 349150 Univerzita Mateja Bela UK Referát absenčných výpožičiek Názov Relativistic effects in atomic and molecular properties Súbež.n. Relativistické efekty v atómových a molekulových vlastnostiach Aut.údaje Miroslav Iliaš, Vladimir Kelloe, Miroslav Urban Autor Iliaš Miroslav 1975- (40%) UMBFP08 - Katedra chémie
Spoluautori Kelloe Vladimir (30%)
Urban Miroslav (30%)
Zdroj.dok. Acta Physica Slovaca. Vol. 60, no. 3 (2010), pp. 259-391. - Bratislava : Slovak Academy of Sciences, 2010 Kľúč.slová electron correlation change of picture ionization potentials electron affinities dipole moments and polarizabilities nuclear quadrupole moments multiple bonds intermolecular interactions Jazyk dok. angličtina Krajina Slovenská republika Systematika 544.112 Anotácia Prehľad základných princípov a metód relativistickej kvantovej chémie. We present an overview of basic principles and methods of the relativistic quantum chemistry. Practical aspects of different methods will be discussed stressing their capability of providing accurate predictions of molecular properties, particularly in species containing a heavy metal element. We will present a series of examples showing the importance of relativistic effects in a variety of molecular properties including electron affinities, ionization potentials, reaction and dissociation energies, electric, spectroscopic and other properties. It is possible to recognize a link between these properties and behaviour of materials in some cases. URL Link na plný text Kategória publikačnej činnosti ABB Číslo archívnej kópie 16914 Kategória ohlasu WANG, Dongqi - VAN GUNSTEREN, Wilfred F. - CHAI, Zhifang. Recent advances in computational actinoid chemistry. In Chemical society reviews. ISSN 0306-0012, 2012, vol. 41, no. 17, pp. 5836-5865.
NAKAJIMA, Takahito - HIRAO, Kimihiko. The Douglas-Kroll-Hess approach. In Chemical reviews. ISSN 0009-2665, 2012, vol. 112, no. 1, pp. 385-402.
NAKATA, Ayako - TSUNEDA, Takao - HIRAO, Kimihiko. Spin-orbit relativistic long-range corrected time-dependent density functional theory for investigating spin-forbidden transitions in photochemical reactions. In Journal of chemical physics. ISSN 0021-9606, 2011, vol. 135, no. 22, article no. 224106.
MECIAROVA, Katarina - SULKA, Martin - CANNEAUX, Sebastien et al. A theoretical study of the kinetics of the forward and reverse reactions HI + CH3 = I + CH4. In Chemical physics letters. ISSN 0009-2614, 2011, vol. 517, no. 4-6, pp. 149-154.
CUKOVICOVA, Martina - FEDERIC, Jozef - CERNUSAK, Ivan. Alkali Metal Borides MeB (Me = Li, Na, K, Rb, Cs, Fr): CASPT2 Calculations. In International journal of quantum chemistry. ISSN 0020-7608, 2011, vol. 111, no. 13, pp. 3438-3451.
GRANATIER, Jaroslav - LAZAR, Petr - OTYEPKA, Michal - HOBZA, Pavel. The nature of the binding of Au, Ag, and Pd to benzene, coronene, and graphene : from benchmark CCSD(T) calculations to plane-wave DFT calculations. In Journal of chemical theory and computation. ISSN 1549-9618, 2011, vol. 7, no. 11, pp. 3743-3755.
KARLICKY, Frantisek - OTYEPKA, Michal. First step in the reaction of zerovalent iron with water. In Journal of chemical theory and computation. ISSN 1549-9618, 2011, vol. 7, no. 9, pp. 2876-2885.
PAHL, Elke - FIGGEN, Detlev - BORSCHEVSKY, Anastasia et al. Accurate potential energy curves for the group 12 dimers Zn-2, Cd-2, and Hg-2. In Theoretical chemistry accounts. ISSN 1432-881X, 2011, vol. 129, no. 3-5, pp. 651-656.
LOUIS, Florent - CERNUSAK, Ivan - CANNEAUX, Sebastien - MECIAROVA, Katarina. Atmospheric reactivity of CH3I and CH2I2 with OH radicals : a comparative study of the H- versus I-abstraction. In Computational and theoretical chemistry. ISSN 2210-271X, 2011, vol. 965, no. 2-3, pp. 275-284.
PERSHINA, V. Relativistic electronic structure studies on the heaviest elements. In Radiochimica acta. ISSN 0033-8230, 2011, vol. 99, no. 7-8, pp. 459-476.
BELPASSI, Leonardo - STORCHI, Loriano - QUINEY, Harry M. - TARANTELLI, Francesco. Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations. In Physical chemistry chemical physics. ISSN 1463-9076, 2011, vol. 13, no. 27, pp. 12368-12394.
PONEC, Robert - BUCINSKY, Lukas - GATTI, Carlo. Relativistic effects on metal-metal bonding : comparison of the performance of ECP and scalar DKH description on the picture of metal-metal bonding in Re2Cl82-. In Journal of chemical theory and computation. ISSN 1549-9618, 2010, vol. 6, no. 10, pp. 3113-3121.
SUDOLSKA, Maria - LOUIS, Florent - CERNUSAK, Ivan. Reactivity of CHI3 with OH radicals : X-Abstraction reaction pathways (X = H, I), atmospheric chemistry, and nuclear safety. In Journal of physical chemistry A. ISSN 1089-5639, 2014, vol. 118, no. 40, pp. 9512-9520.
KARLICKY, Frantisek - OTYEPKA, Michal. Challenges in the theoretical description of nanoparticle reactivity : nano zero-valent iron. In International journal of quantum chemistry. ISSN 0020-7608, 2014, vol. 114, no. 15, pp. 987-992.
AUTSCHBACH, Jochen. Relativistic calculations of magnetic resonance parameters : background and some recent developments. In Philosophical transactions of the Royal society A : matematical physical and engineering sciences. ISSN 1364-503X, 2014, vol. 372, no. 2011, article no. 20120489.
LODI, Lorenzo - POLYANSKY, Oleg L. - TENNYSON, Jonathan et al. QED correction for H-3(+). In Physical review A. ISSN 1050-2947, 2014, vol. 89, no. 3, article no. 032505.
LAZAR, Petr - GRANATIER, Jaroslav - KLIMES, Jiri et al. The nature of bonding and electronic properties of graphene and benzene with iridium adatoms. In Physical chemistry chemical physics. ISSN 1463-9076, 2014, vol. 16, no. 38, pp. 20818-20827.
DEY, Gangotri - ELLIOTT, Simon D. Copper reduction and atomic layer deposition by oxidative decomposition of formate by hydrazine. In RSC advances. ISSN 2046-2069, 2014, vol. 4, no. 65, pp. 34448-34453.
SULKA, Martin - SULKOVA, Katarina - LOUIS, Florent et al. A theoretical study of the X-abstraction reactions (X = H, Br, or I) from CH2IBr by OH radicals : implications for atmospheric chemistry. In Zeitschrift fur physikalische chemie : international journal of research in chemistry & chemical physics. ISSN 0942-9352, 2013, vol. 227, no. 9-11, pp. 1337-1359.
SULKOVA, K. - FEDERIC, J. - LOUIS, F. et al. Thermochemistry of small iodine species. In Physica scripta. ISSN 0031-8949, 2013, vol. 88, no. 5, article no. 058304.
JASZUNSKI, Michal - OLEJNICZAK, Malgorzata. NMR shielding constants in SeH2 and TeH2. In Molecular physics. ISSN 0026-8976, 2013, vol. 111, no. 9-11, pp. 1355-1363.
GRANATIER, Jaroslav - DUBECKY, Matus - LAZAR, Petr et al. Spin-crossing in an organometallic Pt-Benzene complex. In Journal of chemical theory and computation. ISSN 1549-9618, 2013, vol. 9, no. 3, pp. 1461-1468.
TUERLER, Andreas - PERSHINA, Valeria. Advances in the production and chemistry of the heaviest elements. In Chemical reviews. ISSN 0009-2665, 2013, vol. 113, no. 2, pp. 1237-1312.
SULKOVA, Katarina - SULKA, Martin - LOUIS, Florent - NEOGRADY, Pavel. Atmospheric reactivity of CH2ICI with OH radicals : high-level OVOS CCSD(T) calculations for the x-abstraction pathways (X = H, Cl, or I). In Journal of physical chemistry A. ISSN 1089-5639, 2013, vol. 117, no. 4, pp. 771-782.
SCHWERDTFEGER, Peter - FRENKING, G - SHAIK, S. Relativity and chemical bonding. In Chemical bond : fundamental aspects of chemical bonding. Weinheim : Wiley, 2014. ISBN 978-3-527-66469-6, pp. 383-404.
DUBECKY, Matus. Quantum Monte Carlo for noncovalen interactions : a tutorial review. In Acta physica Slovaca. ISSN 0323-0465, 2014, vol. 64, no. 5, pp. 501-575.
PYKAL, Martin - JURECKA, Petr - KARLICKY, Frantisek - OTYEPKA, Michal. Modelling of graphene functionalization. In Physical chemistry - Chemical physics. ISSN 1463-9076, 2016, vol. 18, no. 9, pp. 6351-6372.
SCHWERDTFEGER, Peter - PASTEKA, Lukas F. - PUNNETT, Andrew - BOWMAN, Patrick O. Relativistic and quantum electrodynamic effects in superheavy elements. In Nuclear physics A. ISSN 0375-9474, 2015, vol. 944, pp. 551-577.
PERSHINA, V. Electronic structure and properties of superheavy elements. In Nuclear physics A. ISSN 0375-9474, 2015, vol. 944, pp. 578-613.
IVANOV, A. S. - ZHANG, X. - WANG, H. - BOLDYREV, A. I. - GANTEFOER, G. - BOWEN, K. H. - CERNUSAK, I. Anion photoelectron spectroscopy and CASSCF/CASPT2/RASSI study of La-n(-) (n=1, 3-7). In Journal of physical chemistry A. ISSN 1089-5639, 2015, vol. 119, no. 46, pp. 11293-11303.
THEILACKER, Kolja - SCHLEGEL, H. Bernhard - KAUPP, Martin - SCHWERDTFEGER, Peter. Relativistic and solvation effects on the stability of gold(III) halides in aqueous solution. In Inorganic chemistry. ISSN 0020-1669, 2015, vol. 54, no. 20, pp. 9869-9875.
BUCINSKY, Lukas - JAYATILAKA, Dylan - GRABOWSKY, Simon. Importance of relativistic effects and electron correlation in structure factors and electron density of diphenyl mercury and triphenyl bismuth. In Journal of physical chemistry A. ISSN 1089-5639, 2016, vol. 120, no. 33, pp. 6650-6669.
DUBECKY, Matus - MITAS, Lubos - JURECKA, Petr. Noncovalent interactions by quantum Monte Carlo. In Chemical reviews. ISSN 0009-2665, 2016, vol. 116, no. 9, pp. 5188-5215.
BARYSZ, Maria. Potential energy curves in the CASSCF/CASPT2 and FS-MR-CC methods : the role of relativistic effects. In Journal of chemical theory and computation. ISSN 1549-9618, 2016, vol. 12, no. 4, pp. 1614-1626.
PYKAL, Martin - JURECKA, Petr - KARLICKY, Frantisek - OTYEPKA, Michal. Modelling of graphene functionalization. In Physical chemistry chemical physics. ISSN 1463-9076, 2016, vol. 18, no. 9, pp. 6351-6372.
FAUCHER, Alexandra - WASYLISHEN, Roderick E. Obtaining gas phase NMR parameters from molecular beam and High-resolution microwave spectroscopy. In Gas phase NMR. ISSN 2044-253X, 2016, no. 6, pp. 52-94.
REPISKY, Michal - KOMOROVSKY, Stanislav - BAST, Radovan - RUUD, Kenneth. Relativistic calculations of nuclear magnetic resonance parameters. In Gas phase NMR. ISSN 2044-253X, 2016, no. 6, pp. 267-303.
RUSAKOVA, Irina L. - RUSAKOV, Yurii Yu - KRIVDIN, Leonid B. Theoretical grounds of relativistic methods for calculation of spin spin coupling constants in nuclear magnetic resonance spectra. In Russian chemical reviews. ISSN 0036-021X, 2016, vol. 85, no. 4, pp. 356-426.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika 
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Názov Príručka pre prácu s časticovým modelom molekulovej fyziky a termiky na základnej škole Podnázov rigorózna práca Aut.údaje Rastislav Meňuš Autor Meňuš Rastislav
Korp. Univerzita Mateja Bela . Fakulta prírodných vied . Katedra fyziky , Banská Bystrica, Slovensko Vyd.údaje Banská Bystrica , 2005. - 87 s. : ilustr., tab. Poznámka Katedra fyziky Fakulta prírodných vied Univerzita Mateja Bela v Banskej Bystrici Kľúč.slová molekulová fyzika termika základné školy - elementary schools Jazyk dok. slovenčina Krajina Slovenská republika Systematika 544.112 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xk - Kvalifikačné práce Počet ex. 1, z toho voľných 0, prezenčne 1 
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Signatúra Lokácia Dislokácia Umiestnenie Info KP 15732 Univerzita Mateja Bela UK Univerzálna študovňa depozit. Dostupné o 2 dni len prezenčne Názov Atoms and Elements Podnázov [An essential guide to the mysteries of modern science] Aut.údaje David Bradley and Ian Crofton Autor Bradley David
Spoluautori Crofton Ian
Vyd.údaje Oxford : Oxford University Press , 2002. - 48 s. : il., obr., 28 cm Vydanie 1st ed. Edícia The Young Oxford Library of Science ISBN 0-19-910951-6 Poznámka Glossary. - Register Kľúč.slová atómy prvky Jazyk dok. angličtina Krajina Veľká Británia Systematika 544.112 546.4 (035) Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xkni - KNIHY Počet ex. 1, z toho voľných 0, prezenčne 1 kniha
Signatúra Lokácia Dislokácia Umiestnenie Info 257547 Univerzita Mateja Bela FP Katedra fyziky len prezenčne Názov Molecular electronic-structure theory Aut.údaje Trygve Helgaker et al. Autor Helgaker Trygve
Vyd.údaje Chichester : John Wiley & Sons , 2000. - xxvii; 908 s. : obr., 25 cm Vydanie [1st ed.] ISBN 978-1-118-53147-1 Poznámka Register Kľúč.slová kvantová chémia - quantum chemistry molekulárna teória molecular theory Jazyk dok. angličtina Krajina Veľká Británia Systematika 54 544.112 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xkni - KNIHY Počet ex. 1, z toho voľných 0, prezenčne 1 kniha
Signatúra Lokácia Dislokácia Umiestnenie Info 343061 Univerzita Mateja Bela FP Katedra chémie len prezenčne Názov Cesta do nitra hmoty Aut.údaje Jiří Čeleda, Josef Kuba Autor Čeleda Jiří
Spoluautori Kuba Josef
Vyd.údaje Praha : SNTL-Nakladatelství technické literatury , 1981. - 449 s. : obr., tab. Vydanie 2., přeprac. a dopln. vyd. Edícia Polytechnická knižnice , 1. Řada věda a technika populárně Kľúč.slová hmota atómová teória - atomic theory Jazyk dok. čeština Krajina -CS Systematika 544.112 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xkni - KNIHY Počet ex. 2, z toho voľných 1, prezenčne 1 kniha
Signatúra Lokácia Dislokácia Umiestnenie Info 143710 Univerzita Mateja Bela FP Katedra chémie len prezenčne 143711 Univerzita Mateja Bela UK Referát absenčných výpožičiek Názov Struktura atomu a chemická vazba Aut.údaje Fritz Seel; překlad Lubor Jenšovský Autor Seel Fritz
Ďalší autori Jenšovský Lubor 1926-2012 (Prekladateľ)
Vyd.údaje Praha : Academia , 1976. - 117 s. : il., tab. Vydanie 1. vyd. Kľúč.slová chémia - chemistry atómy chemické väzby Jazyk dok. čeština Krajina Československo Systematika 544.112 54-123 539.12 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xkni - KNIHY Počet ex. 1, z toho voľných 1 kniha
Signatúra Lokácia Dislokácia Umiestnenie Info 119076 Univerzita Mateja Bela UK Referát absenčných výpožičiek Názov Gigant atom Aut.údaje K. Böhm, R. Dörge; přeložili: V. Doksanský, J. Škop Autor Böhm Karl
Spoluautori Dörge R.
Ďalší autori Doksanský Vladimír (Prekladateľ)
Škop Josef (Prekladateľ)
Vyd.údaje Praha : Státní nakladatelství technické literatury , 1959. - 322 s. Vydanie 1. vyd. Kľúč.slová chémia - chemistry atómy Jazyk dok. čeština Krajina -CS Systematika 544.112 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xkni - KNIHY Počet ex. 1, z toho voľných 0, prezenčne 1 kniha
Signatúra Lokácia Dislokácia Umiestnenie Info 23468 Univerzita Mateja Bela FP Katedra fyziky len prezenčne
