| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384467 | Chemical Physics Letters | 2011 | 4 Pages |
Abstract
⺠The interaction in the water-carbon dioxide complex was investigated. ⺠The equilibrium geometry of the complex was reproduced and corresponds to the T-shaped structure. ⺠SIMPER-P is in excellent agreement with CCSD (T) method in the region of the equilibrium geometry. ⺠The local minimum of the potential energy surface corresponds to the hydrogen-bonded structure. ⺠The interaction is highly anisotropic.
Related Topics
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Authors
Akyl S. Tulegenov,