引用本文:
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.
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.
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.
The Study of One Carbon Unit Transfer from Imidazolidine to dUMP Analogue with ONIOM Theory
摘要:
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.
-
关键词:
- H4folate
- / one-carbon unit transfer
- / dUMP
English
The Study of One Carbon Unit Transfer from Imidazolidine to dUMP Analogue with ONIOM Theory
Abstract:
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.
-
Key words:
- H4folate
- / one-carbon unit transfer
- / dUMP
扫一扫看文章
计量
- PDF下载量: 0
- 文章访问数: 843
- HTML全文浏览量: 1
下载:
