Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy
Name
Spiekermann_Pattanaik_Green_JPC_2022.pdf
Size
9.81 MB
Format
Adobe PDF
Checksum (MD5)
8596d0dd37e7dc0b365deda277621e76
Author(s)
Spiekermann, Kevin A.
Pattanaik, Lagnajit
Green, William H.
Date Issued
June 21, 2022
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
MIT Department
Massachusetts Institute of Technology. Department of Chemical Engineering
Terms of Use
Creative Commons Attribution-Noncommercial-Share Alike
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DOI of Published Version
https://doi.org/10.1021/acs.jpca.2c02614
