Article ID Journal Published Year Pages File Type
5390680 Chemical Physics Letters 2006 4 Pages PDF
Abstract
CCSD(T) calculations with triple-zeta valence plus polarization basis sets have been performed on HOSO and HSO2 to determine structures, vibrational frequencies, and infrared intensities for the first time with coupled-cluster methods. It is found that the planarity of HOSO is very sensitive to basis set. The calculated frequencies and intensities offer further support for the identification of HOSO and HSO2 in rare gas matrices.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A coupled-cluster study of the HOSO and HSO2 radicals
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