Orange NMR 4+
Kirill Blinov
-
- 免費
- 提供 App 內購買項目
螢幕截圖
描述
App to predict 13C and 1H NMR spectra: draw a structure to see its spectrum. The accuracy of the algorithm is about 1.9 ppm for 13C and 0.21 ppm for 1H (RMSD=3.4 and 0.31 ppm correspondingly).
The number of heavy atoms in structure to predict for free is restricted to 12 atoms. This restriction can be removed by purchasing additional licenses.
- Draw chemical structure;
- Instantly re-calculate spectrum while changing structure;
- Exchange data with mobile devices via iCloud;
- Print report;
- Zoom in spectrum;
- Option to display chemical shift values on structure;
- Simple clean interface.
The mobile version is available in App Store: http://itunes.apple.com/app/nmr-prediction/id662859811
The prediction algorithm is derived by:
K. A. Blinov, E. D. Smurnyy, T. S. Churanova, M. E. Elyashberg, A. J. Williams, Chemom. Intell. Lab. Syst. 2009, 97, 91
最新功能
版本 2.4
More accurate 3J H-H couplings prediction.
App 私隱
開發者Kirill Blinov並未向 Apple 提供其私隱慣例及資料處理方式的詳細資料。
未提供詳細資料
開發者下次提交 App 更新時須提供私隱詳細資料。
資料
- 供應商
- Kirill Blinov
- 大小
- 13.1 MB
- 類別
- 教育
- 兼容性
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- Mac
- 須使用 macOS 10.7 或以上版本。
- 語言
-
英文
- 年齡
- 4+
- Copyright
- © Molecule Apps 2014-2016
- 價格
- 免費
- App 內購買項目
-
- ¹H NMR Prediction HK$ 1,488.00
- 2 NMR Predictions HK$ 8.00
- 5 NMR Predictions HK$ 18.00
- 10 NMR Predictions HK$ 22.00
- ¹³C NMR Prediction HK$ 1,488.00