| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1258596 | Chinese Chemical Letters | 2007 | 4 Pages |
Abstract
The ONIOM quantum mechanics method is used to study the reaction of one-carbon unit transfer from an imidazolidine to 6-aminouracil model with the participation of water molecules. The computation results show that in this reaction the participation of H2O molecule makes the energy barrier lower because of the H-bond interaction.
Related Topics
Physical Sciences and Engineering
Chemistry
Chemistry (General)
Authors
Chuan Song Qi, Wei Li, Xin Min Wu, Lei Xu, Da Cheng Feng,