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TURBOMOLE 7.4 化學計算軟體

Turbomole被認為是進行HF,DFT,MP2計算最快最穩定的代碼之一。它的特色不是在於新方法和新功能,而在於解決如何用盡量短的時間和 盡量少的內存需求,快速、穩定地處理工業應用型的分子。特別是它獨有的RI-DFT方法,據稱可以較其它大多數DFT程序節省10倍的CPU時間,因此非 常適合於大分子計算或中等分子的重複性計算(如幾何優化)

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TURBOMOLE 7.4 化學計算軟體

SingleCrystal 3 化學繪圖分析軟體

From the classroom to the laboratory to the synchrotron: SingleCrystal is the easiest way to visualize and understand diffraction properties of crystals. SingleCrystal lets you simulate X-ray, neutron and electron diffraction patterns from single crystals, display reciprocal lattice sections and construct stereographic projections of planes or vectors. By combining a simulated pattern with an observed diffraction image, you can auto-index the pattern and determine the orientation of your crystal.

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SingleCrystal 3 化學繪圖分析軟體

QuantiScan 3 光密度分析軟體

QuantiScan for Windows has similar functionality to sophisticated densitometers but at a fraction of the cost. It is able to analyze a wide variety of material including polyacrylamide and agarose gels, autoradiograms, TLC plates, etc. The program will accept images for analysis directly from any TWAIN compliant scanner as well as most BMP, JPG or uncompressed TIF files. For laned gels of reasonable quality, the analysis is highly automated, allowing extremely high throughput of data. Almost any type of image can be analyzed with the manual modes of Quantiscan. Images can be pre-processed in a

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QuantiScan 3 光密度分析軟體

Molpro 2019 量子化學計算軟體

MOLPRO的重點是高精度計算,通過多參考CI,耦合簇和有關的方法,廣泛處理電子相關問題。使用最近開發的直接積分局域電子方法,可以極大地減少隨分子尺寸增加的計算量,能夠對更大的分子體系進行準確的從頭計算

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Molpro 2019 量子化學計算軟體

MedCalc 19.1 醫學計算軟體

MedCalc 是一套專門為醫學工作者設計的醫學計算軟體,它可以幫助醫生快速作出醫學計算,從而對症下藥。提供超過許多常用的規則和方法,

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MedCalc 19.1 醫學計算軟體

Match! 3.8 粉末衍射軟體

Match! is an easy-to-use software for phase identification from powder diffraction data, which has become a daily task in material scientists work. Match! compares the powder diffraction pattern of your sample to a database containing reference patterns in order to identify the phases which are present. Single as well as multiple phases can be identified based on both peak data and raw (profile) data.

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Match! 3.8 粉末衍射軟體

MOPAC2016™ 量子化學軟體

MOPAC2016™ is the successor to MOPAC2012™ and has improved methods for modeling large biomolecules. MOPAC2016™ is a semiempirical quantum chemistry software package for the prediction of chemical properties and modeling of chemical reactions. It is used by chemists and biochemists for both research and teaching, and runs on Windows®, Linux, and Macintosh platforms.

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MOPAC2016™ 量子化學軟體

FlexPDE 7 偏微分有限元素軟體

FlexPDE是一個有彈性的,易學,一般的目的用途的有限元素軟件,FlexPDE可獲得偏微分方程的數值解,偏微分方程在工程上常見於,物理、電機、電子、通訊、土木、機械、化工、化學、生物學、地質學、數學和其它科學領域FlexPDE使用這超強有限元素方法獲得數值解。然而,使用FlexPDE並不需要了解複雜的有限元素方法。

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FlexPDE 7 偏微分有限元素軟體

EnzFitter 2 酵素動力學資料

EnzFitter is a generic curve-fitting package which has custom features designed to make it especially suitable for analysis of enzyme kinetics experiments. For example, initial rate and parameter values can be obtained with their confidence limits for single and twin substrate rate data. Built-in models include Michaelis-Menten with or without substrate inhibition, competitive, uncompetitive and mixed inhibition, ternary complex or ordered bi-bi systems and ping-pong with and without inhibition by substrates. You can easily add other models in conventional algebraic syntax.

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EnzFitter 2 酵素動力學資料

Endeavour 1.8 分子結構軟體

Endeavour是為了散狀衍射資料解決晶狀結構所設計的軟體。讓使用者觀看從隨機原子組合到最後成型晶狀結構的進化過程

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Endeavour 1.8 分子結構軟體

Diamond 4 分子結構軟體

Diamond是傑出的分子和晶體結構顯示軟體.它結合了多種功能,可以用於含有晶體結構數據的工作,適用於教育,科學研究以及出版。Diamond像其它的軟體一樣不僅可以畫出精密的分子和晶體結構圖片,它還有一系列拓展的功能,它可以讓你很容易的從一套基本結構參數(晶胞,空間群和原子的位置)中模擬任意部分的晶體結構。

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Diamond 4 分子結構軟體

CrystalMaker X 化學分子建構軟體

便捷、靈活CrystalMaker能夠容易的載入結構數據並產生壯觀的,相片型的圖形,戴上3D立體眼鏡,還可以感受立體3D畫面,親臨分子結構當中。模型能夠廣泛的設置,顯示個別原子,鍵和多個側面。全面的互動CrystalMaker包括實時操作和編輯、設計新結構的能力,99個undo標準加上多重的、用戶定義的觀點,鼓勵深入的探測和研究,是理想的科研和教學方式

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CrystalMaker X 化學分子建構軟體

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