All-atom molecular dynamics simulation of the [Fe(pyrazine)] [Ni(CN)4] spin-crossover complex. I. Thermally induced spin transition in the bulk material

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Authors: Shiteng Mi, Gábor Molnár, Karl Ridier, William Nicolazzi, and Azzedine Bousseksou

Journal title: Physical Review B

Journal publisher: American Institute of Physics

Published year: 2024

DOI identifier: 10.1103/physrevb.109.054103

ISSN: 2469-9969