Mostrando 981 - 1,000 Resultados de 2,895 Para Buscar '"Hove"', tiempo de consulta: 0.36s Limitar resultados
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    “…We report results on the translational dynamics of the hydration water of the lysozyme protein upon cooling obtained by means of molecular dynamics simulations. The self van Hove functions and the mean square displacements of hydration water show two different temperature activated relaxation mechanisms, determining two dynamic regimes where transient trapping of the molecules is followed by hopping phenomena to allow to the structural relaxations. …”
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    por Kwapiński, Tomasz, Kurzyna, Marcin
    Publicado 2021
    “…There are considered straight armchair-edge and zig-zag Su–Schrieffer–Heeger (SSH) chains coupled with real 2D electrodes which density of states (DOS) are characterized by the van Hove singularities. In this work, it is shown that such 2D substrates substantially influence topological states end evoke strong asymmetry in their on-site energetic structures, as well as essential modifications of the spectral density function (local DOS) along the chain. …”
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    “…Our results reveal two possible mechanisms for the emergence of the BP-like anomaly: (i) acoustic–optic phonon avoided crossing, which gives rise to a pseudo-van Hove singularity in the acoustic phonon branches, and (ii) piling up of low-frequency optical phonons, which are quasi degenerate with longitudinal acoustic modes and lead to a surge in the vibrational density of states at low energies.…”
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