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產品型號：-
產品代碼：004
產品價格：面議
產品編碼：004
計量單位：套
折 扣 率： 0
最后更新：2017-08-10
關 注 度：9207
生產企業：北京環中睿馳科技有限公司
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 與企業聯系時請告知該信息來自教育裝備網！ |
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產品詳細介紹環中睿馳科技有限公司是該軟件授權代理公司，并且原創撰寫中文Spartan 10軟件安裝、注冊、使用操作手冊，
完全解決您對軟件操作問題擔憂，現在購買還有好禮相送，歡迎來電聯系客服或者在線QQ客服。
Spartan 設計用來解決化學和相關領域日益增加的化學計算需求。并由Wave公司跟Q-Ch公司合作開發。
經過兩個公司的合作開發，使Spartan對于初學者更加容易學習和使用，Spartan主要用于分子力學、半經驗方法計算（semi-empirical）以及哈特里福克(Hartree-Fock)方程計算，
并且擁有各種各樣的圖形處理模塊、全范圍密度函數模型和廣泛使用的以Wavefun為基礎的Hartree-Fock模型。
以上所有模型都使用目前最健壯的算法實現，并且在Intel跟AMD多核處理器上表現出很高的性能。
Spartan專門設計給化學家來使用，但是不僅僅是已經很熟悉分子力學跟量子化學計算模型的化學家，
對于缺乏相關經驗的但是很想使用相關計算（比如做核磁共振光譜學實驗）化學家來說同樣很容易使用。
Spartan的設計正是要想使用者更容易的使用現代分子力學跟量子化學模型來進行計算，并得出結果。這樣的設計也使得Spartan軟件明細的區別于其他軟件。
Spartan 平臺支持：
Windows
Macintosh
Linux
Windows系統最低配置
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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| 會員級別：免費會員 |
| 加入時間：2017-07-31
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