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  Condensed-Phase Molecular Representation to Link Structure and Thermodynamics in Molecular Dynamics

Mohr, B., van der Mast, D., & Bereau, T. (2023). Condensed-Phase Molecular Representation to Link Structure and Thermodynamics in Molecular Dynamics. Journal of Chemical Theory and Computation, 19(14), 4770-4779. doi:10.1021/acs.jctc.3c00201.

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acs.jctc.3c00201.pdf (Publisher version), 4MB
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 Creators:
Mohr, Bernadette, Author
van der Mast, Diego, Author
Bereau, Tristan1, 2, 3, 4, Author           
Affiliations:
1Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society, ou_1800287              
2Heidelberg Univ, Inst Theoret Phys, Heidelberg, Germany, ou_persistent22              
3Univ Amsterdam, Informat Inst, Amsterdam, Netherlands, ou_persistent22              
4Univ Amsterdam, Van 'T Hoff Institute for Molecular Sciences and Informatics, Amsterdam, Netherlands, ou_persistent22              

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Language(s): eng - English
 Dates: 2023-07-032023-07-25
 Publication Status: Issued
 Pages: -
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 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1021/acs.jctc.3c00201
 Degree: -

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Title: Journal of Chemical Theory and Computation
  Other : J. Chem. Theory Comput.
Source Genre: Journal
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 19 (14) Sequence Number: - Start / End Page: 4770 - 4779 Identifier: ISSN: 1549-9618
CoNE: https://pure.mpg.de/cone/journals/resource/111088195283832