Miroslav Iliaš

  • Univerzita Mateja Bela v Banskej Bystrici
  • Professor, Chemistry
  • Slovakia

My co-authors include

Dr. Ignacio Agustin Aucar
Dr Vladimir Dzuba
Elke Fasshauer

Find me at

My Publications

The DIRAC code for relativistic molecular calculations

  • The Journal of Chemical Physics
  • May 2020

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

  • The Journal of Physical Chemistry A
  • March 2020

Properties and Reactivity of Hydroxides of Group 13 Elements In, Tl, and Nh from Molecu...

  • Inorganic Chemistry
  • July 2019

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

  • The Journal of Chemical Physics
  • November 2018

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

  • September 2018

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

  • Chemical Physics Letters
  • February 2018

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

  • The Journal of Chemical Physics
  • May 2017

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

  • Inorganic Chemistry
  • January 2017

Grid Computing with Relativistic Quantum Chemistry Software

  • Journal of Grid Computing
  • August 2014

Theoretical predictions of properties and volatility of chlorides and oxychlorides of g...

  • The Journal of Chemical Physics
  • August 2014

Theoretical predictions of properties and volatility of chlorides and oxychlorides of g...

  • The Journal of Chemical Physics
  • August 2014

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

  • Physical Review A
  • August 2013

Gauge origin independent calculations of molecular magnetisabilities in relativistic fo...

  • Molecular Physics
  • May 2013

Nuclear-spin-dependent parity violation in diatomic molecular ions

  • Physical Review A
  • November 2012

P -odd interaction constant W A from relativistic ab initio calculations of diat...

  • Physical Review A
  • May 2012

Analysis of parity violation in chiral molecules

  • Physical Chemistry Chemical Physics
  • January 2011

Relativistic effects in atomic and molecular properties

  • Acta Physica Slovaca Reviews and Tutorials
  • June 2010

Gauge origin independent calculations of nuclear magnetic shieldings in relativistic fo...

  • The Journal of Chemical Physics
  • September 2009

The molecular mean-field approach for correlated relativistic calculations

  • The Journal of Chemical Physics
  • September 2009

Relativistic effects in the intermolecular interaction-induced nuclear magnetic resonan...

  • The Journal of Chemical Physics
  • October 2007

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

  • The Journal of Chemical Physics
  • February 2007

Theoretical study of PbO and the PbO anion

  • Chemical Physics Letters
  • June 2005

Electric properties of hydrogen iodide: Reexamination of correlation and relativistic e...

  • Theoretical Chemistry Accounts
  • September 2003

Ionization potentials of Zn, Cd, Hg and dipole polarizabilities of Zn+, Cd+, Hg+: corre...

  • Chemical Physics Letters
  • August 1999

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

  • The Journal of Physical Chemistry A
  • July 1998