| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394844 | Computational and Theoretical Chemistry | 2012 | 6 Pages |
Abstract
⺠Proton transfer for XHâ¯NH3 upon an electron attachment was studied with DFT method. ⺠Attachment of an excess electron could increase the trend and degree of PT. ⺠The PT from HBr to NH3 is the barrier-free proton transfer (BFPT) in (HBrâ¯NH3)â system. ⺠Waters could assist FHâ¯NH3 and HCOOHâ¯NH3 BFPT upon an excess electron attachment.
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Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Lihua Dong, Jinhu Wang,