分子力学和量子力学计算程序
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- 7 12 月, 2022
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/thumb.jpg "分子力学和量子力学计算程序")
语言：英文
官网：http://www.wavefun.com/index.html
/thumb.jpg "分子力学和量子力学计算程序")
化学领域强大的分子力学和量子力学计算程序。依靠艺术级的图形显示和成熟的算法，Spartan为制药与生物技术机构在靶标识别与确立、先导物的选择与优化和工艺优化过程提供关键数据支持。
功能： 1. 理论方法：从头Hartree-Fork，密度泛函（局域密度近似，以及BP，BLYP，EDF1，B3LYP），MPn（MP2，MP3，MP4，LMP2），更高级的相关能计算（CCSD，CCSD(T)，OD，OD(T)，G2，G3），半经验方法（MNDO，MNDO(d)，AM1，PM3），蒙特卡罗和分子力学。
2. 计算类型：单点能计算，几何优化，组态分析，预测化学反应，平衡位置和过渡态寻找，水溶液的SM5.4能量计算，Mulliken和NBO的布居分析。
3. 全部计算和结果的显示都在图形界面下完成。
简单翻译一下破解过程：
1. Unpack and install. - 解压后安装
2. Select ‘Software Key’ licensing option. - 选择 Software Key 注册选项
3. Cancel the activation code dialog. - 取消激活码输入对话框
4. Replace the file(s) with the included one(s). - 用压缩包内的文件替换掉源文件
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更多资源请请访问：http://www.VeryCD.com/groups/langard/
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NOTE: This release is the full version of Spartan’08.
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SpartanModel is an "Electronic Model Kit". Making
use of computer technology, SpartanModel replaces
the "plastic models" used by past generations of
organic chemistry students, and extends the utility
of molecular models in chemistry education.
Spartan Student Edition is a serious molecular
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Functional, Moller Plesset, and an assortment of
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1. Unpack and install.
2. Select ‘Software Key’ licensing option.
3. Cancel the activation code dialog.
4. Replace the file(s) with the included one(s).
That’s all. Have fun using it! 😉
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