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Journal of Chemical Theory and Computation|November 19, 2024
<i>k</i>-Means Clustering in Fingerprint-Based Configuration Selection for Fitting Interatomic PotentialsMiroslav Lebeda, Jan Drahokoupil, Ludvík Löbel, et al.
Journal of Applied Crystallography|October 9, 2025
<i>XRDlicious</i>: an interactive web-based platform for online calculation of diffraction patterns and radial distribution functions from crystal structuresMiroslav Lebeda, Jan Drahokoupil, Petr Veřtát, et al.
The Journal of Physical Chemistry Letters|April 28, 2026
Collapse of the Helical Hydrogen Bond Structure in Imidazolium Hydrogen <i>o</i>-Phthalate Under High Pressure: A Vibrational Spectroscopy StudySylwia Zięba, Christelle Kadlec, Adam Mizera, et al.
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