Orange NMR 4+

Name: Orange NMR
Rating: 5 (1 reviews)
Author: Kirill Blinov

Kirill Blinov

Progettata per iPad

- 5,0 • 1 valutazione

- Gratis
- Offre acquisti in-app

Descrizione

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.

- Instantly re-calculate spectrum while changing structure;
- Predicted spectra stored in iCloud and synchronised among all iOS devices and Mac version (itunes.apple.com/app/orange-nmr/id680184249);
- Email PDF report;
- Zoom in spectrum;
- Zoom in structure (important for iPhone users);
- Option to display chemical shift values on structure;
- Simple clean interface.

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

9 ago 2016

Versione 2.4

This app has been updated by Apple to display the Apple Watch app icon.

More accurate 3J H-H couplings prediction.

5,0 su 5

1 valutazione

Lo sviluppatore, Kirill Blinov, non ha fornito a Apple dettagli sulle proprie procedure per la tutela della privacy e il trattamento dei dati. Per scoprire di più, consulta l’informativa sulla privacy dello sviluppatore.