分子力学和量子力学计算程序
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- 12月 7, 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
/thumb.jpg "分子力学和量子力学计算程序")
更多资源请请访问：http://www.VeryCD.com/groups/langard/
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SpartanModel is an "Electronic Model Kit". Making
use of computer technology, SpartanModel replaces
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organic chemistry students, and extends the utility
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Spartan Student Edition is a serious molecular
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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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