WebbHS analysis provides a quantitative description of intermolecular interactions in the lattice, allowing the contribution of each type of interatomic contact to the global interaction … Webb10 jan. 2016 · Hirshfeld 既是人名，也是德国的地名，汉语音译为“赫希菲尔德”，不过从后面 surface analysis 判断，这是指“（德国）赫希菲尔德地表分析”。

hirshfeld电荷分布_百度文库

http://sobereva.com/257 WebbHirshfeld电荷分布是一种用于百度文库述分子内部电荷分布的方法。. 这种方法基于分子内部电荷的相对贡献，可以用来描述分子的分子性质，如极性、电荷密度分布等。. … cost above ground lap pool

hirshfeld电荷分布_百度文库

Webb小木虫论坛-分子模拟专栏：拥有来自国内各大院校、科研院所的博硕士研究生，企业研发人员，旺盛的人气、良好的交流氛围及广阔的交流空间，聚集了众多科研工作者的分子模拟学术资源、分子模拟经验交流信息，是国内最有人气的分子模拟学术科研平台。 WebbThe upper d_e and d_i values (distances to the Hirshfeld surfaces for the nearest atoms outside and inside) in the fingerprint plots are more compact in (3) than in (4), and in (5) … WebbAbstract. In the last few years the analysis of molecular crystal structures using tools based on Hirshfeld surfaces has rapidly gained in popularity. This approach represents an attempt to venture beyond the current paradigm—internuclear distances and angles, crystal packing diagrams with molecules represented via various models, and the ... breaffy ns ballina