Citation: Chuan Song QI, Da Cheng FENG, Zheng Ting CAI. The Study of One Carbon Unit Transfer from Imidazolidine to dUMP Analogue with ONIOM Theory[J]. Chinese Chemical Letters, ;2004, 15(1): 123-126. shu

The Study of One Carbon Unit Transfer from Imidazolidine to dUMP Analogue with ONIOM Theory

Institute of Theoretical Chemistry, Shandong University, Jinan 250100

Received Date: 2 January 2003

Fund Project: This project was supported by the National Natural Science Foundation of China (20235010).

ONIOM quantum mechanics method is used in this paper to study one-carbon unit transfer from imidazolidine to 6-aminouracil derivates. The computation results show that this reaction can be completed via three paths owing to the three different proton transfer modes. By calculation and analysis, we can find the direct proton transfer is the preferable pathway.
- H4folate,
- one-carbon unit transfer,
- dUMP
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