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几类药物分子的HMO计算 Ⅱ内酯类化合物的HMO计算
Quantum Chemical Calculations on Some Kind of Medicines with HMO Method——Ⅱ Calculations on Some Lactones
【摘要】 用 HMO 方法对内酯类化合物进行了计算,得出这类化合物的羰氧电荷密度与它们对心脏的毒性呈正变关系。
【Abstract】 Quantum chemical calculations on some lactones were carried out with HMO method.We found that the electron density of Oxygen atom of cabenyl group (qc=o) of these lactones had a direct proportional relation to the cardiac toxity.
- 【文献出处】 内蒙古大学学报(自然科学版) ,Acta Scientiarum Naturalium Universitatis Neimongol , 编辑部邮箱 ,1983年01期
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