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【求助】AIM softnesses (SAIM)和 Fukui Indices (fi)是怎么算出来的
小卒最近看一篇文章 J. Phys. Chem. A 2005, 109, 387-393 (Selectivity Descriptors for the Michael Addition Reaction as Obtained from Density Functional Based Approaches).
文中提到The Gaussian-optimized structures were used for the computation of reactivity descriptors (SAIM, fi) by means of the deMon program code.
不明白Saim和fi是怎么算出来的。请问各位大虾deMon program code是一个免费软件吗？我在网上搜索怎么查不到相应的软件啊。
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