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用 AM1方法对竹红菌素 (包括甲素和乙素 )与它们的溴代物进行了量子化学对比计算 ,得到了生成热 ,前线轨道能级及偶极矩等参数 .讨论了溴代作用对竹红菌素分子性质的影响
The parameters of heat generation, frontier orbital energy level and dipole moment were obtained by quantum chemical comparison of the hypocrellins (including A and B) and their bromides by the AM1 method. The effect of the bromination on Influence of molecular properties of hypocrellin