Generating an NCI surface using Jmol
收藏Figshare2016-01-18 更新2026-04-08 收录
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https://figshare.com/articles/dataset/Generating_an_NCI_surface_using_Jmol/811862/1
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资源简介：
A Script to generate a NCI surface from a Gaussian Cube file, and to write the result as two files, a .xyz coordinate file and a .jvxl isosurface file. See doi: 10.1021/ja100936w for details of the theoretical procedure.
创建时间：
2013-10-01
