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  1. Mechanochemical Conversion of Aromatic Amines to Aryl Trifluoromethyl Ethers

    Article • Journal of the American Chemical Society, June 2022, American Chemical Society (ACS)

    Miroslav Iliaš

  2. Reactivity of superheavy elements Cn and Fl and of their oxides in comparison with homologous species of Hg and Pb, respectively, towards gold and hydroxylated quartz surfaces

    Article • Dalton Transactions, January 2022, Royal Society of Chemistry

    Miroslav Iliaš

  3. Systematic study and uncertainty evaluation of P, T-odd molecular enhancement factors in BaF

    Article • The Journal of Chemical Physics, July 2021, American Institute of Physics

    Miroslav Iliaš

  4. Reactivity of the Superheavy Element 115, Mc, and Its Lighter Homologue, Bi, with Respect to Gold and Hydroxylated Quartz Surfaces from Periodic Relativistic DFT Calculations: A Comparison with Element 113, Nh

    Article • Inorganic Chemistry, June 2021, American Chemical Society (ACS)

    Miroslav Iliaš

  5. Nuclear spin-dependent parity-violating effects in light polyatomic molecules

    Article • November 2020, American Physical Society (APS)

    Miroslav Iliaš

  6. The DIRAC code for relativistic molecular calculations

    Article • The Journal of Chemical Physics, May 2020, American Institute of Physics

    Professor Hans Jørgen Aagaard Jensen, Dr. Ignacio Agustin Aucar, Miroslav Iliaš, Andre Severo Pereira Gomes, Elke Fasshauer, Jógvan Magnus Haugaard Olsen

  7. Hyperfine Structure Constants on the Relativistic Coupled Cluster Level with Associated Uncertainties

    Article • The Journal of Physical Chemistry A, March 2020, American Chemical Society (ACS)

    Miroslav Iliaš

  8. Carbonyl compounds of Rh, Ir, and Mt: electronic structure, bonding and volatility

    Article • Physical Chemistry Chemical Physics, January 2020, Royal Society of Chemistry

    Miroslav Iliaš

  9. Properties and Reactivity of Hydroxides of Group 13 Elements In, Tl, and Nh from Molecular and Periodic DFT Calculations

    Article • Inorganic Chemistry, July 2019, American Chemical Society (ACS)

    Miroslav Iliaš

  10. Carbonyl compounds of Tc, Re, and Bh: Electronic structure, bonding, and volatility

    Article • The Journal of Chemical Physics, November 2018, American Institute of Physics

    Miroslav Iliaš

  11. Nuclear anapole moment interaction in BaF from relativistic coupled-cluster theory

    Article • September 2018, American Physical Society (APS)

    Miroslav Iliaš

  12. Electronic structure and properties of MAu and MOH, where M = Tl and Nh: New data

    Article • Chemical Physics Letters, February 2018, Elsevier

    Miroslav Iliaš

  13. Penta- and tetracarbonyls of Ru, Os, and Hs: Electronic structure, bonding, and volatility

    Article • The Journal of Chemical Physics, May 2017, American Institute of Physics

    Miroslav Iliaš

  14. Hexacarbonyls of Mo, W, and Sg: Metal–CO Bonding Revisited

    Article • Inorganic Chemistry, January 2017, American Chemical Society (ACS)

    Miroslav Iliaš

  15. Grid Computing with Relativistic Quantum Chemistry Software

    Article • Journal of Grid Computing, August 2014, Springer Science + Business Media

    Miroslav Iliaš

  16. Theoretical predictions of properties and volatility of chlorides and oxychlorides of group-4 elements. I. Electronic structures and properties of MCl4 and MOCl2 (M = Ti, Zr, Hf, and Rf)

    Article • The Journal of Chemical Physics, August 2014, American Institute of Physics

    Miroslav Iliaš

  17. Theoretical predictions of properties and volatility of chlorides and oxychlorides of group-4 elements. II. Adsorption of tetrachlorides and oxydichlorides of Zr, Hf, and Rf on neutral and modified surfaces

    Article • The Journal of Chemical Physics, August 2014, American Institute of Physics

    Miroslav Iliaš

  18. Relativistic study of nuclear-anapole-moment effects in diatomic molecules

    Article • Physical Review A, August 2013, American Physical Society (APS)

    Miroslav Iliaš, Dr Vladimir Dzuba

  19. Gauge origin independent calculations of molecular magnetisabilities in relativistic four-component theory

    Article • Molecular Physics, May 2013, Taylor & Francis

    Miroslav Iliaš, Professor Hans Jørgen Aagaard Jensen

  20. Nuclear-spin-dependent parity violation in diatomic molecular ions

    Article • Physical Review A, November 2012, American Physical Society (APS)

    Dr Vladimir Dzuba, Miroslav Iliaš

  21. P -odd interaction constant W A from relativistic ab initio calculations of diatomic molecules

    Article • Physical Review A, May 2012, American Physical Society (APS)

    Dr Vladimir Dzuba, Miroslav Iliaš

  22. Analysis of parity violation in chiral molecules

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Miroslav Iliaš

  23. Relativistic effects in atomic and molecular properties

    Article • Acta Physica Slovaca Reviews and Tutorials, June 2010, De Gruyter

    Miroslav Iliaš

  24. Gauge origin independent calculations of nuclear magnetic shieldings in relativistic four-component theory

    Article • The Journal of Chemical Physics, September 2009, American Institute of Physics

    Miroslav Iliaš, Professor Hans Jørgen Aagaard Jensen

  25. The molecular mean-field approach for correlated relativistic calculations

    Article • The Journal of Chemical Physics, September 2009, American Institute of Physics

    Miroslav Iliaš

  26. Relativistic effects in the intermolecular interaction-induced nuclear magnetic resonance parameters of xenon dimer

    Article • The Journal of Chemical Physics, October 2007, American Institute of Physics

    Perttu Lantto, Miroslav Iliaš, Professor Hans Jørgen Aagaard Jensen

  27. An infinite-order two-component relativistic Hamiltonian by a simple one-step transformation

    Article • The Journal of Chemical Physics, February 2007, American Institute of Physics

    Miroslav Iliaš

  28. Theoretical study of PbO and the PbO anion

    Article • Chemical Physics Letters, June 2005, Elsevier

    Miroslav Iliaš, Professor Hans Jørgen Aagaard Jensen

  29. Electric properties of hydrogen iodide: Reexamination of correlation and relativistic effects

    Article • Theoretical Chemistry Accounts, September 2003, Springer Science + Business Media

    Miroslav Iliaš

  30. Ionization potentials of Zn, Cd, Hg and dipole polarizabilities of Zn+, Cd+, Hg+: correlation and relativistic effects

    Article • Chemical Physics Letters, August 1999, Elsevier

    Miroslav Iliaš

  31. Comparative Study of Electron Correlation and Relativistic Effects in CuF, AgF, and AuF

    Article • The Journal of Physical Chemistry A, July 1998, American Chemical Society (ACS)

    Miroslav Iliaš