W4‐17: A diverse and high‐confidence dataset of atomization energies for benchmarking high‐level electronic structure methods
Author:
Affiliation:
1. School of Molecular SciencesThe University of Western AustraliaPerth Western Australia6009 Australia
2. Department of Organic ChemistryWeizmann Institute of ScienceRehovot76100 Israel
Funder
Australian Research Council
Minerva Foundation
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.24854
Reference110 articles.
1. W4-11: A high-confidence benchmark dataset for computational thermochemistry derived from first-principles W4 data
2. A Hierarchy of Homodesmotic Reactions for Thermochemistry
3. Homodesmotic reactions for thermochemistry
4. Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical procedures
5. Benchmark Thermochemistry of the CnH2n+2 Alkane Isomers (n = 2−8) and Performance of DFT and Composite Ab Initio Methods for Dispersion-Driven Isomeric Equilibria
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