| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394204 | Computational and Theoretical Chemistry | 2013 | 6 Pages |
Abstract
The CVT/SCT rate constants calculated at the QCISD(T)/6-311++G(3df,2p)//MP2/6-311+G(d,p) level for the three reaction channels, anti-E2, SN2@O, syn-E2 vs. 1000/T between 200 and 3000Â K.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Jianglong Liu, Zhiyuan Geng, Yongchen Wang, Dongmei Wang, Yanyu Liu,