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Artificial Thermalization in Ring-Polymer Molecular Dynamics: The Breakdown of RPMD for Gas-Phase Reactions with Pre-Reactive Complexes and How to Fix It

Fuente: arXiv

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Detalles Bibliográficos
Autores principales:	Lawrence, Joseph E., Richardson, Jeremy O.
Formato:	Preprint
Publicado:	2025
Materias:	Chemical Physics
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

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