Estimating Systematic Error and Uncertainty in Ab Initio Thermochemistry. I. Atomization Energies of Hydrocarbons in the ATOMIC(hc) Protocol
Author:
Affiliation:
1. Institute of Physical Chemistry, Department of Chemistry, University of Basel, Klingelbergstr. 80, CH 4056 Basel, Switzerland
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00343
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4. Gaussian-3 (G3) theory for molecules containing first and second-row atoms
5. Gaussian-4 theory
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