引用本文:
Chuan Song QI, Da Cheng FENG, Hua Yang WANG, Zheng Ting CAI. DFT Study on One-carbon Unit Transfer from 1,10-CH+-tetrahydroquinoxaline to Methylamine[J]. Chinese Chemical Letters,
2003, 14(1): 72-75.
Citation: Chuan Song QI, Da Cheng FENG, Hua Yang WANG, Zheng Ting CAI. DFT Study on One-carbon Unit Transfer from 1,10-CH+-tetrahydroquinoxaline to Methylamine[J]. Chinese Chemical Letters, 2003, 14(1): 72-75.
Citation: Chuan Song QI, Da Cheng FENG, Hua Yang WANG, Zheng Ting CAI. DFT Study on One-carbon Unit Transfer from 1,10-CH+-tetrahydroquinoxaline to Methylamine[J]. Chinese Chemical Letters, 2003, 14(1): 72-75.
DFT Study on One-carbon Unit Transfer from 1,10-CH+-tetrahydroquinoxaline to Methylamine
摘要:
Density Funetional Theory (DFT) method was used in this paper to study one-carbon transfer from 1.10-tetrahydroquinoxalinc, an analoguc of tetrahydrofolic aeid, to methylamine.This reaetion can be completedvia two paths. From the computation result we can conclude thai a general-aeid catalysis exists in this reaction. By computation we find DFT has its limitation in deseribing a newly incorporated structure with a unit charge.
English
DFT Study on One-carbon Unit Transfer from 1,10-CH+-tetrahydroquinoxaline to Methylamine
Abstract:
Density Funetional Theory (DFT) method was used in this paper to study one-carbon transfer from 1.10-tetrahydroquinoxalinc, an analoguc of tetrahydrofolic aeid, to methylamine.This reaetion can be completedvia two paths. From the computation result we can conclude thai a general-aeid catalysis exists in this reaction. By computation we find DFT has its limitation in deseribing a newly incorporated structure with a unit charge.
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