摘要
通过实验测得水溶液中吡啶的氢化学位移随摩尔分数的变化曲线，用最小二乘法，单纯形寻优和迭代算法对其进行拟合，从而求得了吡啶与水的１∶１和２∶１配合物的稳定常数及化学位移值。
The dependance curves between the hydrogen chemical shifts of pyridine in water solution and the molar fraction of pyridine were fitted by the least squares method, simplical optimization method and iteration method. The stability constants and hydrogen chemical shifts of 1∶1 and 2∶1 pyridine-water conplexes were obtained in previous procedure.
出处
《数理医药学杂志》
1996年第4期340-342,共3页
Journal of Mathematical Medicine
关键词
吡啶
稳定常数
氢化学位移
单纯形寻优
水溶液
pyridine-water comples stability constant hydrogen chemical shift simplical optimization method
