Herman-Kluk propagator is free from zero-point energy leakage M Buchholz, E Fallacara, F Gottwald, M Ceotto, F Grossmann, SD Ivanov Chemical Physics 515, 231-235, 2018 | 40 | 2018 |
Thermal and nuclear quantum effects at the antiferroelectric to paraelectric phase transition in koh and kod crystals E Fallacara, P Depondt, S Huppert, M Ceotto, F Finocchi The Journal of Physical Chemistry C 125 (40), 22328-22334, 2021 | 7 | 2021 |
When quantum fluctuations meet structural instabilities: the isotope-and pressure-induced phase transition in the quantum paraelectric NaOH S Schaack, E Mangaud, E Fallacara, S Huppert, P Depondt, F Finocchi Physical Review Letters 131 (12), 126101, 2023 | 3 | 2023 |
The Fate of the Formic Acid Proton on the Anatase TiO2 (101) Surface E Fallacara, F Finocchi, M Cazzaniga, S Chenot, S Stankic, M Ceotto Angewandte Chemie International Edition, e202409523, 2024 | | 2024 |
Quantum and anharmonic effects in hydrogen-bonded crystals, surfaces and biological systems E Fallacara Sorbonne Université, 2022 | | 2022 |