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13C NMR 1.4

Company: Kirill Blinov
Date Added: January 31, 2014  |  Visits: 117

13C NMR
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App to predict 13C NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is about 2.0 ppm (RMSD=3.5 ppm).

- 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/13c-nmr/id660721455)
- 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
Requirements: iOS 5.0 or later. Compatible with iPhone, iPad, and iPod touch. This app is optimized for iPhone 5.

Requirements: No special requirements
Release Date: January 31, 2014
Platforms: iOS
Users rating: 0/10

License: Shareware Cost: $99.99 USD Size: 4.7 MB
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