Anila, S; Suresh, C H
(Royal Society of Chemistry, 2019-10-03)
The structure and energetics of the interaction of CO2 molecules with anions F−, Cl−, Br−, CN−, NC−, OH−, ClO−, NH2−, and NO2−, have been studied at the M06L/6-311++G** level of density functional theory. The maximum number ...