Generating an NCI surface using Jmol
收藏官方服务:
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



