SVECV‐f12: A composite scheme for accurate and cost‐effective evaluation of reaction barriers. II. Benchmarking using Karton's BH28 barrier heights database.

Autor: Kieninger, Martina1 (AUTHOR), Ventura, Oscar N.1 (AUTHOR) oscar.n.ventura@gmail.com
Zdroj: International Journal of Quantum Chemistry. 12/15/2023, Vol. 123 Issue 24, p1-18. 18p.
Databáze: Academic Search Ultimate
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