Dickinson AS

Maclagan RGAR

Viehland LA

The HeCO+ potential energy surface was calculated at the MP4SDTQ/6-311++G(3df, 3pd) level of theory. Classical trajectory calculations were then made of the transport cross sections for CO+ ions in He gas. These cross sections were used in a kinetic theory determination of the mobility and diffusion coefficients parallel and perpendicular to an external electric field. Comparison of the calculated mobilities with experimental data showed that theory and experiment agree within their mutual uncertainties

Ab initio calculation of the gas phase ion mobility of CO+ ions in He

Abstract

Similar works

Full text

Available Versions

Newcastle University E-Prints