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Targeted Transferable Machine-Learned Potential for Linear Alkanes Trained on C14H30 and Tested for C4H10 to C30H62
External Source
chorus
Document Type
Version of Record
Authors
Chen Qu
Paul L. Houston
Thomas Allison
Joel M. Bowman
Date Acquired
November 2, 2026
Publication Information
Publication: Journal of Chemical Theory and Computation
Publisher: American Chemical Society (ACS)
Volume: 21
Issue: 7
Issue Publication Date: August 4, 2025
ISSN: 1549-9618
e-ISSN: 1549-9626
DOI: 10.1021/acs.jctc.4c01793
Funding Number(s)
funding: 80NSSC22K1167
Distribution Limits
Public

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