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Central Database of Staff

  1. ADC Search for the variation of fundamental constants: Strong enhancements in X-2 Pi cations of dihalogens and hydrogen halides / L. F. Pašteka ... [et al.]
    In: Physical Review A - Atomic, Molecular, and Optical Physics. - Vol. 92, No. 1 (2015), Art. No. 2103
  2. ADC Boronate Ester Bullvalenes / Harshal D. Patel ... [et al.]
    In: Journal of the American Chemical Society. - Roč. 142, č. 8 (2020), s. 3680-3685
  3. ADC Network Analysis of Substituted Bullvalenes / Oussama Yahiaoui ... [et al.]
    In: Organic Letters. - Roč. 21, č. 23 (2019), s. 9574-9578
  4. ADC Toward Understanding the Bonding Character in Complexes of Coinage Metals with Lone-Pair Ligands. CCSD(T) and DFT Computations / Lukáš F. Pašteka, Tomáš Rajský, Miroslav Urban
    In: Journal of Physical Chemistry A. - Vol. 117, No. 21 (2013), s. 4472-4485
  5. ADC Ionization potentials and electron affinities of the superheavy elements 115-117 and their sixth-row homologues Bi, Po, and At / A. Borschevsky ... [et al.]
    In: Physical Review A - Atomic, Molecular, and Optical Physics. - Vol. 91, No. 2 (2015), Art. No. 020501 [5 s.]
  6. ADC Synthesis and Analysis of Substituted Bullvalenes / Oussama Yahiaoui ... [et al.]
    In: Angewandte Chemie. - Roč. 57, č. 10 (2018), s. 2570-2574
  7. ADC Atropisomerism of 2,2-Diaryl-1,1-binaphthalenes Containing Three Stereogenic Axes: Experimental and Computational Study / Marcel Ehn ... [et al.]
    In: European Journal of Organic Chemistry. - Vol. 36, December (2015), s. 7935-7942
  8. ADC High accuracy theoretical investigations of CaF, SrF, and BaF and implications for laser-cooling / Yongliang Hao ... [et al.]
    In: Journal of Chemical Physics. - Roč. 151, č. 3 (2019), s. [1-17], Art. No. 34302
  9. ADC Relativistic Coupled Cluster Calculations with Variational Quantum Electrodynamics Resolve the Discrepancy between Experiment and Theory Concerning the Electron Affinity and Ionization Potential of Gold / Lukáš F. Pašteka ... [et al.]
    In: Physical Review Letters. - Vol. 118, No. 2 (2017), Art. No. 023002 [5 s.]
  10. ADC Relativistic coupled-cluster calculations of the Yb-173 nuclear quadrupole coupling constant for the YbF molecule / Lukáš F. Pašteka, R. J. Mawhorter, P. Schwerdtfeger
    In: Molecular Physics. - Vol. 114, No. 7-8 (2016), s. 1110-1117
  11. ADC Relativistic and quantum electrodynamic effects in superheavy elements / Peter Schwerdtfeger ... [et al.]
    In: Nuclear Physics A. - Vol. 944, December (2015), s. 551-577
  12. ADC Spin-orbit effects in optical spectra of gold-silver trimers / Armin Shayeghi ... [et al.]
    In: Physical Chemistry Chemical Physics. - Roč. 20, č. 14 (2018), s. 9108-9114
  13. ADC Material Size Dependence on Fundamental Constants / Lukáš Félix Pašteka ... [et al.]
    In: Physical Review Letters. - Roč. 122, č. 16 (2019), s. [1-8], Art. No. 160801
  14. ADC The cohesive energy of superheavy element copernicium determined from accurate relativistic coupled-cluster theory / K.G. Steenbergen ... [et al.]
    In: Physical Chemistry Chemical Physics. - Vol. 19, No. 48 (2017), s. 32286-32295
  15. ADC Electron Affinities of Uracil: Microsolvation Effects and Polarizable Continuum Model / Miroslav Melicherčík ... [et al.]
    In: Journal of Physical Chemistry A. - Vol. 116, No. 9 (2012), s. 2343-2351
  16. ADC CASPT2 and CCSD(T) calculations of dipole moments and polarizabilities of acetone in excited states / Lukáš F. Pašteka ... [et al.]
    In: Molecular Physics. - Vol. 110, No. 18 (2012), s. 2219-2237
  17. ADC Doping effects on the geometric and electronic structure of tin clusters / Martin Gleditzsch ... [et al.]
    In: Physical Chemistry Chemical Physics. - Roč. 21, č. 44 (2019), s. 24478-24488
  18. ADC Gold doping of tin clusters: exo- vs. endohedral complexes / Martin Gleditzsch ... [et al.]
    In: Nanoscale. - Roč. 11, č. 27 (2019), s. 12878-12888
  19. AEG Electric and spectroscopic properties of low-lying excited states of acetone / Lukáš F. Pašteka, Miroslav Urban
    In: Chemické listy [elektronický dokument]. - Vol. 104, No. 6 (2010), s. 496
  20. AFD Teoretické výpočty potenciálových kriviek molekúl vhodných pre laserové ochladzovanie / Andrej Hurajt, Lukáš Félix Pašteka
    In: Študentská vedecká konferencia PriF UK 2019 [elektronický dokument] : zborník recenzovaných príspevkov. - ISBN 978-80-223-4711-2. - Bratislava : Univerzita Komenského v Bratislave, 2019. - S. 742-747 [print]
  21. AFG Theoretical study on properties of the valence excited states of acetone / Lukaš F. Pašteka, Miroslav Melicherčík, Miroslav Urban
    In: JCS Symposium on Theoretical Chemistry 2011 . Conference book. - Liblice : UOCHB AV ČR, 2011. - nestr. [1 s.]
  22. AFG Solvation effects on uracil / Miroslav Melicherčík ... [et al.]
    In: 10-th Central European Symposium on Theoretical Chemistry. CESTC 2011. - [S.l.] : [s.n.], 2011. - S. 85
  23. AFG Thermochemical Hierarchy of Homodesmotic Reactions Extended for Hydrocarbons Containing Heteroatoms / Lukáš F. Pašteka, Lucia Šimová, Ján Šimunek
    In: CESTC 2013 - Symposium on Theoretical Chemistry. - ISBN 978-80-87351-26-0. - Praha : J. Heyrovský Institute of Physical Chemistry, 2013. - S. 69
  24. AFG Towards Understanding the Bonding Character in Complexes of Coinage Metals with Lone-Pair Ligands / Lukáš F. Pašteka, Tomáš Rajský, Miroslav Urban
    In: CESTC 2013 - Symposium on Theoretical Chemistry. - ISBN 978-80-87351-26-0. - Praha : J. Heyrovský Institute of Physical Chemistry, 2013. - S. 73
  25. AFG CCSD(T), MP2 and DFT investgations of electron affinities of uracil: microsolvation and the polarized continuum model / Miroslav Melicherčík ... [et al.]
    In: 16th International Workshop on Quantum Systems in Chemistry. - Kanazawa : Kanazawa University, 2011. - S. 91
  26. AFG A link between non-additiveties of dipole polatizabilities and interaction energies in Van der Waals coinage metal-ligand complexes / Lukáš F. Pašteka, Tomáš Rajský, Miroslav Urban
    In: CESTC 2012. - Graz : Graz University, 2012. - Nestr. [1 s.]
  27. AFG Relativistic effects in intermolecular interactions: coinage metals with lone pair ligands / Tomáš Rajský, Miroslav Urban, Lukáš Paštéka
    In: CESTC 2012. - Graz : Graz University, 2012. - Nestr. [1 s.]
  28. AFH 2,2-Diaryl-1,1-binaphthalenes and phosphoramidites derived from them: synthesis, stereochemistry and application in catalysis / Martin Putala ... [et al.]
    In: Advances in Organic Chemistry. - ISBN 978-80-970648-5-3. - Bratislava : Univerzita Komenského, 2014. - S. 34
  29. AFK Effects of solvation on electron affinities of uracil / Miroslav Melicherčík ... [et al.]
    In: Ninth triennial congress of the World Association of Theoretical and Computational Chemists -WATOC 2011. - [S.l.] : [s.n], 2011. - S. PII 192
  30. AFL Electric properties of low-lying excited states of acetone and their interaction with water / Lukáš F. Pašteka, Miroslav Urban
    In: 9th Central European Symposium on Theoretical Chemistry. - ISBN 978-80-223-2907-1. - Bratislava : Univerzita Komenského, 2010. - S. 105-106
  31. AFL Electric and spectroscopic properties of low-lying excited states of acetone / Lukáš Pašteka, Miroslav Urban, Pavel Neogrády
    In: Proceedings from the 3rd Japan-Czech-Slovak Symposium for Theoretical and Computational Chemistry. - ISBN 978-80-223-2707-7. - Bratislava : Univerzita Komenského, 2009. - S. 88-90