摘要
采用量子化学半经验方法RHF/PM 3,对荧光法测定两种维生素B相关联的杂环化合物进行构型优化 ,并用RHF/CIS方法分别计算了它们的荧光光谱 ,所得结果与实验值基本符合 .
The gemoetric configurations of two hetero cyclic compounds about measuring V B have been optimized by semi empirical RHF/PM3 of quamtum chemistry. Their flu orescence spectra have been calculated by RHF/CIS method, and the results are fu ndamentally corsistent with experimental values.
出处
《四川师范大学学报（自然科学版）》
CAS
CSCD
2000年第3期270-271,共2页
Journal of Sichuan Normal University（Natural Science）
基金
四川省教委重点科研基金资助项目
