| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383871 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
⺠A new potential energy surface including the antisymmetric Q3 normal mode of CO2 for Kr-CO2 is constructed. ⺠Both potentials with CO2 at both the ground (Ï
3Â =Â 0) and the first (Ï
3 = 1) vibrational excited states are found to have a T-shaped global minimum. ⺠The calculated band origin shifts, microwave and infrared spectra are in good agreement with the available experiment values.
Related Topics
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Chemistry
Physical and Theoretical Chemistry
Authors
Rong Chen, Hua Zhu, Daiqian Xie,