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pro vyhledávání: '"Erika Fallacara"'
Publikováno v:
Journal of Physical Chemistry C
Journal of Physical Chemistry C, American Chemical Society, 2021, 125 (40), pp.22328-22334. ⟨10.1021/acs.jpcc.1c06953⟩
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
Journal of Physical Chemistry C, American Chemical Society, 2021, 125 (40), pp.22328-22334. ⟨10.1021/acs.jpcc.1c06953⟩
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
Crystalline KOH undergoes an antiferroelectric (AFE) proton ordering phase transition at low temperatures, which results in a monoclinic bilayer structure held together by a network of weak hydrogen bonds (HBs). The Curie temperature shifts up when t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4dab9b5e5ea9aa1471a762966d5e8153
https://hal.archives-ouvertes.fr/hal-03418844
https://hal.archives-ouvertes.fr/hal-03418844
Autor:
Frank Grossmann, Sergei D. Ivanov, Michele Ceotto, M. Buchholz, Erika Fallacara, Fabian Gottwald
Publikováno v:
Chemical Physics
Semiclassical techniques constitute a promising route to approximate quantum dynamics based on classical trajectories starting from a quantum-mechanically correct distribution. One of their main drawbacks is the so-called zero-point energy (ZPE) leak
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3d915835722550aee62d7fcf5ba36447