Prediction of the molecular structure, internal rotational barriers and vibrational frequencies of formamide by nonlocal density functional theory

被引：3
|
作者：
Axe, FU
Renugopalakrishnan, V
Hagler, AT
机构：
[1] Biosym MSI Inc, San Diego, CA 92121 USA
[2] Harvard Univ, Sch Med, Boston, MA 02115 USA
[3] Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 0451, DF, Mexico
来源：
JOURNAL OF CHEMICAL RESEARCH | 1998年 / 01期
关键词：
D O I：
10.1039/a706017c
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A state-of-the-art non-local density functional study of formamide is reported and compared with experimental molecular structure, internal rotational barriers and vibrational frequencies.
引用
收藏
页码：1 / 1C
页数：7
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