Ján Titiš

The ORCA quantum chemistry program package

Software update: the ORCA program system, version 4.0

High surface area DPA-hematite for efficient detoxification of bisphenol A via peroxymonosulfate activation

Generation of sulfate radical through heterogeneous catalysis for organic contaminants removal: Current development, challenges and prospects

The rise of 3-d single-ion magnets in molecular magnetism: towards materials from molecules?

Application of peroxymonosulfate and its activation methods for degradation of environmental organic pollutants: Review

The Ligand Field of the Azido Ligand: Insights into Bonding Parameters and Magnetic Anisotropy in a Co(II)–Azido Complex

Magnetic hysteresis up to 80 kelvin in a dysprosium metallocene single-molecule magnet

Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)₄]^2– Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations

Software update: The ORCA program system—Version 5.0

Spin-dependent properties in the framework of the dynamic correlation dressed complete active space method

Tetracoordinate Co(ii) complexes containing bathocuproine and single molecule magnetism

Single-Molecule Magnetism in a Pentacoordinate Cobalt(II) Complex Supported by an Antenna Ligand

A mononuclear Ni(ii) complex: a field induced single-molecule magnet showing two slow relaxation processes

Heteroleptic nickel(II) complexes formed from N-donor bases, carboxylic acids and water: Magnetostructural correlations

Synthesis, crystal structure, spectra and magnetic properties of new manganese(III) and iron(III) dipicolinate complexes

Simple Mononuclear Cobalt(II) Complex: A Single-Molecule Magnet Showing Two Slow Relaxation Processes

Zero-Field Splitting in Pseudotetrahedral Co(II) Complexes: a Magnetic, High-Frequency and -Field EPR, and Computational Study