Article ID Journal Published Year Pages File Type
5394364 Computational and Theoretical Chemistry 2013 5 Pages PDF
Abstract
► We have performed MP2 studies of HgClOH-(H2O)n clusters for n = 1-4. ► The effects of basis set quality on geometries and binding energies have been investigated. ► Results have been obtained at the complete basis set (CBS) limit including the counterpoise corrections. ► Incremental binding energies are similar to those obtained for the microsolvation of HgCl2.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Aqueous microsolvation of HgClOH. A systematic MP2 study of the HgClOH-(H2O)n species with n = 1-4
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