Title of article
Accurate potential energy curves for Zn+–Rg (Rg = He–Rn): Spectroscopy and transport coefficients
Author/Authors
Lee، نويسنده , , Edmond P.F. and Gray، نويسنده , , Benjamin R. and Joyner، نويسنده , , Nicole A. and Johnson، نويسنده , , Stephanie H. and Viehland، نويسنده , , Larry A. and Breckenridge، نويسنده , , W.H. and Wright، نويسنده , , Timothy G.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2007
Pages
6
From page
19
To page
24
Abstract
High-quality ab initio potential energy curves are presented for the Zn+–Rg series (Rg = He–Rn). Calculations are performed at the RCCSD(T) level of theory, employing aug-cc-pV5Z quality basis sets, with ‘small core’ relativistic effective core potentials being used for Kr–Rn. We present spectroscopic information for the titular species, derived from our potential energy curves, and compare to previous results. We also present calculated ion transport data and show that mobility minima occur for a number of these systems, albeit at low gas temperatures for some of them.
Journal title
Chemical Physics Letters
Serial Year
2007
Journal title
Chemical Physics Letters
Record number
1923173
Link To Document