Pavel Hobza

All publications

Latest publications

Solvation strategies for free-energy calculations in a halogen-bonded complex: implicit, explicit, and machine learning approaches

J. Vacek D. Vrška D. Manna R. Lo P. Hobza

Chemical Science 16 (48): 23129–23138 (2025)

Blue-Shifting Hydridic Hydrogen Bonds in Complexes of (Me₃Si)₃SiH

M. Lamanec V. Špirko S. Civiš P. Hobza

Journal of Physical Chemistry A 129 (50): 11512–11522 (2025)

Direct upcycling of highly efficient sorbents for emerging organic contaminants into high energy content supercapacitors

V. Šedajová D. Nandi P. Langer R. Lo P. Hobza D. Plachá A. Bakandritsos R. Zbořil

Journal of Colloid and Interface Science 692: 137481 (2025)

Beyond Deshielding: NMR Evidence of Shielding in Hydridic and Protonic Hydrogen Bonds

D. Manna R. Lo M. Lamanec J. Pavlišová O. Socha M. Dračínský P. Hobza

Journal of Chemical Theory and Computation 21 (15): 7495–7502 (2025)