COSMOtherm 量子化學軟體-資安軟體/研究分析軟體/心理學軟體/新永資訊有限公司

COSMOtherm 量子化學軟體

COSMOtherm 量子化學軟體

  • COSMOtherm 量子化學軟體
  • 編號
  • 類別
    生化統計分析軟體
  • 介紹
    COSMOtherm is the first publicly available and most advanced implementation of the COSMO-RS theory, which was published by A. Klamt at Bayer in 1995. He started COSMOlogic a few years later to focus on the advancement of COSMO-RS and COSMOtherm. COSMOtherm has found widespread use in many industrial branches related to chemistry, pharmaceutics, consumer goods or fragrances.
  • 價格

COSMOtherm:

Predicting Solutions since 1999
COSMOtherm is the universal tool for predictive property calculation of liquids, and combines quantum chemistry and thermodynamics in a unique fashion. It calculates the chemical potential of almost any molecule in almost any pure or mixed liquid at variable temperature, i.e. it predicts how happy a molecule is in a certain liquid environment. This is the key for the prediction of a multitude of properties required in industrial applications or academic research, including solubility, partitioning, vapor pressure, and complete phase diagrams. In contrast to several other available methods COSMOtherm is able to predict properties as function of concentration and temperature by applying thermodynamically consistent equations.

Predictable properties
  • • Solubility of liquids, solids and gases
  • • Activity coefficients, two-phase partitioning (e.g. LogP), liquid extraction
  • • Conformer relevance in different mixtures
  • • Phase behavior: liquid-liquid, liquid-vapor and liquid-solid equilibria
  • • Vapor pressures, free energy of solvation, Henry's law constant
  • • pka, dependence of chemical reaction equilibria on the solvent
  • • Energy of transfer to a flat liquid-liquid interface
  • • Micelle and membrane partitioning
  • • Interfacial tension, adsorption and environmental properties

Ready out of the box
COSMOtherm features an easy to use graphical interface to allow users to focus more on research and less on the software. In addition, the completely input file-oriented command line version allows seamless integration into existing workflows or batch processing. The greatest advantages of COSMOtherm are its general applicability and its high predictivity. Once integrated into the workflow, it can be applied to almost the complete range of organic chemistry without needing a scientist to think about missing parameters or applicability for a specific case.

Fewer complications
  • • No missing parameters
  • • No case-specific choices of any kind
  • • Predictivity far beyond fitting sets
  • • Multifunctional and complex compounds are welcome
  • • Results within seconds or minutes
  • (a time-consuming DFT calculation has to be conducted for each molecule once, the results are then stored and can be reused for all properties and mixtures later on)

Limitations
  • • Limited to incompressible liquids, sufficiently below the critical point
  • • Gas phase chemical potential is only valid for ideal gases
  • • Polymers can only be predicted as solvents for small molecules
  • • Long-range interactions of ions are missing ( e. g. Debye-Hückel term)

AssayZap 3.0 實驗分析計算軟體

AssayZap是一種普遍的實驗分析計算軟體,它主要針對RIA, ELISA, IRMA,比色及其它類型的化學分析。 它能夠處理的數量高達2^31。標準曲線可以被配備2個參數、4個參數、4個加權參數、或者是獨特的手工互動裝備,它可允許安裝所有的不同形狀的標準曲線。實驗分析可以包含多達2000支軟管和四條標準曲線,每個可包含高達24個值。實驗分析的要點可以通過標準曲線間的插補結果來補充。

特價0

AssayZap 3.0 實驗分析計算軟體

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.

特價0

EnzFitter 2 酵素動力學資料

BioNumerics 7 生物類緣關係分析軟體

BioNumerics的特性之一是包含了一個整合了針對於各種現有的生物學數據的分析模塊的關係型數據庫。本系統除了提供了強大的,對輸入數據的類型和大小沒有限制的多用戶的環境,同時提供了現有最先進的對凝膠圖譜,指紋圖譜,序列信息等的分析工具。數據庫裡面的數據記錄,可以是細菌或者是病毒菌株,動物,植物,真菌,或任何器官的指紋圖譜樣本。同時,不同的試驗方法來的樣本也可以定義在同一個數據庫的記錄中。利用本系統,用戶可以對多種試驗數據的不同的記錄之間進行研究比較,並對不同的記錄通過整合進行分類鑑定。

特價0

BioNumerics 7 生物類緣關係分析軟體

公司資訊

立即聯繫

透過以下方式迅速的聯絡我們

2018© Copyright All Rights Reserved

蘋果網頁設計
資安軟體量身規劃資訊安全零死角,提供有效方案,以期協助企業運用新科技改善及提升其商業服務及價值,資安軟體達到運用新科技最佳化商業營運及價值的目標。秉持讓客戶可以安心、輕鬆、有效的享用現代科技有線網路。資安軟體秉持讓客戶可以安心、輕鬆、有效的享用現代科技有線網路