期刊
RUSSIAN JOURNAL OF ORGANIC CHEMISTRY
卷 44, 期 9, 页码 1316-1322出版社
MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S107042800809011X
关键词
-
Quantum-chemical calculations at the B3LYP/6-311++G(df,p) level of theory showed that reactions of phenyl isocyanate with methanol associates involve formation of pre-and post-reaction complexes. The reactions proceed through late asymmetric cyclic transition states. The height of the energy barrier decreases as the degree of association of the alcohol increases. The relative change in the Gibbs energy in the reaction of phenyl isocyanate with methanol also becomes smaller as the degree of alcohol association increases.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据