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Ring-Polymer Instanton Tunneling Splittings of Tropolone an..:
Nandi, Apurba
;
Laude, Gabriel
;
Khire, Subodh S.
...
Journal of the American Chemical Society. 145 (2023) 17 - p. 9655-9664 , 2023
Link:
https://doi.org/10.1021/jacs.3c00769
RT Journal T1 <Title>Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_jacs.3c00769&Exemplar=1&LAN=DE A1 Nandi, Apurba A1 Laude, Gabriel A1 Khire, Subodh S. A1 Gurav, Nalini D. A1 Qu, Chen A1 Conte, Riccardo A1 Yu, Qi A1 Li, Shuhang A1 Houston, Paul L. A1 Gadre, Shridhar R. A1 Richardson, Jeremy O. A1 Evangelista, Francesco A. A1 Bowman, Joel M. PB American Chemical Society (ACS) YR 2023 SN 0002-7863 SN 1520-5126 JF Journal of the American Chemical Society VO 145 IS 17 SP 9655 OP 9664 LK http://dx.doi.org/https://doi.org/10.1021/jacs.3c00769 DO https://doi.org/10.1021/jacs.3c00769 SF ELIB - SuUB Bremen
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