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Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands
External Source
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Document Type
Version of Record
Authors
Apurba Nandi
Gabriel Laude
Subodh S. Khire
Nalini D. Gurav
Chen Qu
Riccardo Conte
Qi Yu
Shuhang Li
Paul L. Houston
Shridhar R. Gadre
Jeremy O. Richardson
Francesco A. Evangelista
Joel M. Bowman
Date Acquired
October 26, 2026
Publication Information
Publication: Journal of the American Chemical Society
Publisher: American Chemical Society (ACS)
Volume: 145
Issue: 17
Issue Publication Date: March 5, 2023
ISSN: 0002-7863
e-ISSN: 1520-5126
DOI: 10.1021/jacs.3c00769
Funding Number(s)
funding: 1900532
funding: PSR2021DIP005RCONT
funding: 80NSSC20K0360
Distribution Limits
Public

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