Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy

Author(s)
Spiekermann, Kevin A.; Pattanaik, Lagnajit; Green, William H.
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Date issued
2022-06-21
URI
https://hdl.handle.net/1721.1/143698
Department
Massachusetts Institute of Technology. Department of Chemical Engineering
Journal
Journal of Physical Chemistry A
Publisher
American Chemical Society (ACS)
Citation
Spiekermann, Kevin A., Pattanaik, Lagnajit and Green, William H. 2022. "Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy." Journal of Physical Chemistry A, 126 (25).
Version: Author's final manuscript
ISSN
1089-5639
1520-5215
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