Crossmark

Sub 20 cm<sup>−1</sup> computational prediction of the CH bond energy – a case of systematic error in computational thermochemistry

Crossref DOI link: https://doi.org/10.1039/D2CP03964H

Published Online: 2023

Update policy: https://doi.org/10.1039/rsc_crossmark_policy

Authors

Thorpe, James H. https://orcid.org/0000-0002-9258-006X
Feller, David https://orcid.org/0000-0001-5112-7886
Bross, David H. https://orcid.org/0000-0002-8218-0249
Ruscic, Branko https://orcid.org/0000-0002-4372-6990
Stanton, John F. https://orcid.org/0000-0003-2345-9781
Funding

Funding for this research was provided by:

U.S. Department of Energy (DE-AC02-06CH11357, DE-SC0018164)

National Science Foundation (CHE-1664325)
License Information

Accepted Manuscript valid from 2023-10-03