集美大学学报（自然科学版）2001，Vol.6Issue(1)：29-33,5.
SCC-DV-Xα方法的应用 Ⅱ．催化活性研究
Applications of SCC-DV-Xα Method Ⅱ．Study of Catalytic Activity
欧光南 1曹学功2
作者信息
- 1. 集美大学食品工程系,
- 2. 华侨大学化学系,
- 折叠
摘要
Abstract
The catalytic activity of the carbonyl compound catalyzed by acids and bases had been investigated by self-consistent charge discrete variation（SCC-DV-Xα）method and homogeneous kinetics measurements．SCC-DV-Xα calculations showed that bases catalyst may weaken π bond of carbonyl group of formaldehyde and acids catalyst could improve the electrophilic ability of carbon atom in carbonyl group．Carbonyl Compounds can be well activated by bases．SCC-DV-Xα calculation proved to be a feasible and convenient method to evaluate catalysts．关键词
SCC-DV-Xα方法/羰基化合物/催化活性/酸碱催化剂分类
化学化工引用本文复制引用
欧光南,曹学功..SCC-DV-Xα方法的应用 Ⅱ．催化活性研究[J].集美大学学报（自然科学版）,2001,6(1):29-33,5.
