Vybrané publikace

Nejnovější publikace

Reliable Modeling of Anharmonic Spectra Line-Shapes from VPT2 and Hybrid QM Models: IR Spectrum of Uracil as a Test Case
Journal of Physical Chemistry A 129 (26): 5860–5880 (2025)
Vibrational Analysis Based on Cavity-Enhanced Raman Spectroscopy: Cyclohexane
Journal of Physical Chemistry A 129 (4): 3183–3193 (2025)
Raman optical activity study of deuterated sugars: deuterium labelling as a tool for structural analysis
Physical Chemistry Chemical Physics 26 (32): 21568-21574 (2024)
Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers
Journal of Computational Chemistry 45 (21): 1846-1869 (2024)