PiSystems

  • strict warning: Non-static method view::load() should not be called statically in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/views.module on line 906.
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最新版本: 
6.2
评分: 
3

简介  
PiSystems是一个量子化学程序。可以直接下载试用版,包含全部功能,有使用次数限制。

功能  
PiSystems是界面友好计算快捷的量子化学程序,功能有:计算共轭分子电子吸收谱,模拟有机染料溶液的颜色,支持合成设计,研究分子激发态的各种动力学,研究取代基对分子吸收谱的影响,分子计算有简单的图形输入,支持鼠标。量化计算使用Pariser,Parr和Pople的SCF-CI方法,最多计算81个单电子激发态。