Pavel Hobza

All publications

Latest publications

Beyond a single structure: complementary IR and NMR signatures of multi-minima noncovalent binding

M. Lamanec M. Marchi S. M. H. Hejazi R. Zbořil Š. Kment M. Dračínský P. Hobza

Chemical Science 2026: Early View

Ambiphilic behavior of hydrogen in trisubstituted silanes induced by substituent controlled polarity inversion

V. Hrubý D. Manna R. Lo P. Hobza

Communications Chemistry 9: 174 (2026)

Mechanistic insights into facet-dependent CO adsorption and vibrational responses on anatase TiO₂: periodic quantum-mechanical calculations

J. Vacek P. Hobza D. Nachtigallová

Journal of Molecular Modeling 32: 128 (2026)

Noncovalent Mg···N Interactions as Tunable Electronic Perturbations in Pyridine-Based Single-Molecule Junctions

D. Sutradhar A. Sarmah T. Nakajima P. Hobza A. K. Chandra

Journal of Physical Chemistry A 130 (11): 2376–2385 (2026)