| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394524 | Computational and Theoretical Chemistry | 2012 | 7 Pages |
Abstract
⺠The matrix-solvation equilibrium and transition structures modeled by MP2/IEF-PCM. ⺠T1 diagnostic and largest amplitude of the optimized structures calculated by CCSD. ⺠The dissociation reaction barriers decrease upon the noble gas matrix effect modeling.
Related Topics
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Physical and Theoretical Chemistry
Authors
Guoqun Liu, Yanli Zhang, Zhixin Wang, Yanzhi Wang, Xianxi Zhang, Wangxi Zhang,