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产品型号：-
产品代码：004
产品价格：面议
产品编码：004
计量单位：套
折 扣 率： 0
最后更新：2017-08-10
关 注 度：6026
生产企业：北京环中睿驰科技有限公司
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 与企业联系时请告知该信息来自教育装备网！ |
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产品详细介绍环中睿驰科技有限公司是该软件授权代理公司，并且原创撰写中文Spartan 10软件安装、注册、使用操作手册，
完全解决您对软件操作问题担忧，现在购买还有好礼相送，欢迎来电联系客服或者在线QQ客服。
Spartan 设计用来解决化学和相关领域日益增加的化学计算需求。并由Wave公司跟Q-Ch公司合作开发。
经过两个公司的合作开发，使Spartan对于初学者更加容易学习和使用，Spartan主要用于分子力学、半经验方法计算（semi-empirical）以及哈特里福克(Hartree-Fock)方程计算，
并且拥有各种各样的图形处理模块、全范围密度函数模型和广泛使用的以Wavefun为基础的Hartree-Fock模型。
以上所有模型都使用目前最健壮的算法实现，并且在Intel跟AMD多核处理器上表现出很高的性能。
Spartan专门设计给化学家来使用，但是不仅仅是已经很熟悉分子力学跟量子化学计算模型的化学家，
对于缺乏相关经验的但是很想使用相关计算（比如做核磁共振光谱学实验）化学家来说同样很容易使用。
Spartan的设计正是要想使用者更容易的使用现代分子力学跟量子化学模型来进行计算，并得出结果。这样的设计也使得Spartan软件明细的区别于其他软件。
Spartan 平台支持：
Windows
Macintosh
Linux
Windows系统最低配置
Modern Intel or AMD Athlon Processors
Windows Vista, Win 7, or 8
1024 x 768 (or higher) graphics resolution
2 GB RAM (2 GB per core recommended for Parallel Suite)
http://img.bj.wezhan.cn/content/sitefiles/2018663/images/131139068231094198.gif
Energy Determine total energy (Hartree-Fock, density functional, Møller-Plesset, advanced correlated), heat of formation (semi-empirical or thermochemical recipes) or strain energy (molecular mechanics).
Equilibrium Geometry Determines local energy minimum.
Transition State Geometry Determine transition-state geometry, with the option to calculate the intrinsic reaction coordinate (IRC).
Calculate and Plot IR Spectra All methods except MP3, MP4 and advanced correlated. Needed to establish validity of transition states.
Calculate and Plot NMR Spectra Chemical shifts from Hartree-Fock and DFT models.
Calculate and Plot UV/vis Spectra Hartree-Fock/CIS and DFT/TDDFT models.
Conformational Analysis Search conformation space to determine either lowest-energy conformer or diverse set of low-energy conformers. Additional procedure for generating a conformational library of the minimal set of conformers required to span conformational space (used in conjunction with Similarity Analysis).
Energy Profile Define and calculated energies for user specified geometrical coordinates. Useful to locate a transition state along a reaction coordinate and to analyze conformational energy changes. Includes the ability to provide grid scanning to concurrently drive two geometric coordinates.
Similarity Analysis Assess and quantify similarity between molecules or molecules and pharmacophore models. Similarity based on molecular structure or chemical function descriptors is available. A scoring function based on rms deviations is available (and automatically adjusts to account for unfavorable intramolecualr interactions). |
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| 会员级别：免费会员 |
| 加入时间：2017-07-31
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