Title of article
Comparison of quantum, classical, and ring-polymer molecular dynamics infra-red spectra of Cl−(H2O) and H+(H2O)2
Author/Authors
Huang، نويسنده , , Xinchuan and Habershon، نويسنده , , Scott and Bowman، نويسنده , , Joel M.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2008
Pages
5
From page
253
To page
257
Abstract
We present a comparison of the infra-red spectra of Cl−(H2O) and H+(H2O)2 obtained with classical and ring-polymer molecular dynamics with previous quantum calculations. Full-dimensional ab initio-based potential and dipole-moment surfaces are used in these calculations.
Journal title
Chemical Physics Letters
Serial Year
2008
Journal title
Chemical Physics Letters
Record number
1923254
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