Computational Investigation of the Thermochemistry of the CO2 Capture Reaction by Ethylamine, Propylamine, and Butylamine in Aqueous Solution Considering the Full Conformational Space via Boltzmann Statistics.
J Phys Chem A. 2021 Nov 11;125(44):9578-9593. doi: 10.1021/acs.jpca.1c06294. Epub 2021 Oct 29.
J Phys Chem A. 2021.
PMID: 34714081