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  Computing inelastic neutron scattering spectra from molecular dynamics trajectories

Harrelson, T. F., Dettmann, M., Scherer, C., Andrienko, D., Moule, A. J., & Faller, R. (2021). Computing inelastic neutron scattering spectra from molecular dynamics trajectories. Scientific Reports, 11(1): 7938. doi:10.1038/s41598-021-86771-5.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0008-978C-0 Version Permalink: https://hdl.handle.net/21.11116/0000-0008-978D-F
Genre: Journal Article

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s41598-021-86771-5.pdf (Publisher version), 3MB
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2021
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 Creators:
Harrelson, Thomas F.1, 2, Author
Dettmann, Makena3, Author
Scherer, Christoph4, Author           
Andrienko, Denis4, Author           
Moule, Adam J.1, Author
Faller, Roland5, Author           
Affiliations:
1Univ Calif Davis, Dept Chem Engn, Davis, CA 95616 USA, ou_persistent22              
2Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA, ou_persistent22              
3Univ Calif Davis, Dept Mat Sci & Engn, Davis, CA 95616 USA, ou_persistent22              
4Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society, ou_1800287              
5Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA, ou_persistent22              

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Language(s): eng - English
 Dates: 2021-04-12
 Publication Status: Published online
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1038/s41598-021-86771-5
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Title: Scientific Reports
  Abbreviation : Sci. Rep.
Source Genre: Journal
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Publ. Info: London, UK : Nature Publishing Group
Pages: - Volume / Issue: 11 (1) Sequence Number: 7938 Start / End Page: - Identifier: ISSN: 2045-2322
CoNE: https://pure.mpg.de/cone/journals/resource/2045-2322