Computing inelastic neutron scattering spectra from molecular dynamics trajectories.

Harrelson, Thomas F; Dettmann, Makena; Scherer, Christoph; Andrienko, Denis; Moulé, Adam J; Faller, Roland

Harrelson, Thomas F; Dettmann, Makena; Scherer, Christoph; Andrienko, Denis; Moulé, Adam J; Faller, Roland.

Afiliación

Harrelson TF; Department of Chemical Engineering, University of California-Davis, 1 Shields Ave, Davis, CA, 95616, USA.
Dettmann M; Molecular Foundry, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA, 94720, USA.
Scherer C; Department of Materials Science and Engineering, University of California-Davis, 1 Shields Ave, Davis, CA, 95616, USA.
Andrienko D; Max Planck Institute for Polymer Research, Ackermannweg 10, 55128, Mainz, Germany.
Moulé AJ; Max Planck Institute for Polymer Research, Ackermannweg 10, 55128, Mainz, Germany.
Faller R; Department of Chemical Engineering, University of California-Davis, 1 Shields Ave, Davis, CA, 95616, USA.

Sci Rep ; 11(1): 7938, 2021 Apr 12.

Article en En | MEDLINE | ID: mdl-33846390

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Sci Rep Año: 2021 Tipo del documento: Article País de afiliación: Estados Unidos

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