Ab Initio Studies on L-2,4-Diaminobutyric Acid (L-DABA)

被引:2
|
作者
Fugler-Dornenico, L. [1 ,2 ]
Russell, C. S. [1 ,2 ]
Sapse, A. M. [2 ,3 ,4 ]
机构
[1] CUNY City Coll, Dept Chem, New York, NY 10036 USA
[2] CUNY, Grad Ctr, New York, NY 10036 USA
[3] CUNY, John Jay Coll, Dept Chem, New York, NY 10019 USA
[4] Rockefeller Univ, New York, NY 10021 USA
关键词
D O I
10.1007/BF01374486
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Ab initio calculations are used to determine the most stable conformation for L-2,4-diaminobutyric acid (L-DABA). Structural characteristics are obtained and compared to gamma-aminobutyricacid (GABA). It is found that for L-DABA the extended, partially folded, and cyclic conformations are almost equal in energy.
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页码:379 / 384
页数:6
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