Article ID Journal Published Year Pages File Type
5394553 Computational and Theoretical Chemistry 2012 6 Pages PDF
Abstract
► HAlF+ and HAlCl+ are investigated using an ab initio methodology. ► The low-lying electronic states are explored. ► CCSD(T)-F12 is used to generated the HAlF+ and HAlCl+ 3D PESs. ► The rovibrational spectroscopy of each species is studied. ► Similar Al-H bond is found in both ions.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Electronic states and rovibrational spectroscopy of the HAlF+ and HAlCl+ cations
Authors
, ,