A comparison of DLPNO-CCSD(T) and CCSD(T) method for the determination of the energetics of hydrogen atom transfer reactions
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference80 articles.
1. Role of double hydrogen atom transfer reactions in atmospheric chemistry;Kumar;Acc. Chem. Res.,2016
2. Understanding hydrogen atom transfer: from bond strengths to Marcus theory;Mayer;Acc. Chem. Res.,2010
3. Hydrogen-abstraction reactivity patterns from a to y: the valence bond way;Lai;Angew. Chem. Int. Ed.,2012
4. Effect of ammonia and formic acid on the OH + HCl reaction in the troposphere: Competition between single and double hydrogen atom transfer pathways;Mallick;J. Phys. Chem. A,2017
5. Impact of post-CCSD(T) corrections on reaction energetics and rate constants of the OH + HCl reaction;Mallick;J. Phys. Chem. A,2018
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