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Apps » Productivity » 1H NMR

1H NMR

2.5 for iPhone, iPad
$99.99
0

0 Ratings

Update Date

2019-11-04

Size

20.4 MB

Screenshots for iPhone

iPhone
1H NMR Description
App to predict 1H NMR spectrum: draw a structure to see its spectrum. The accuracy of the algorithm is about 0.21 ppm (RMSD=0.31 ppm) obtained on a large independent dataset.

- Instantly re-calculate the spectrum while changing the structure;
- 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
1H NMR 2.5 Update
2019-11-04
Integration with the Files app added.
More Information
Price:
$99.99
Version:
2.5
Size:
20.4 MB
Genre:
Education Productivity
Update Date:
2019-11-04
Developer:
Kirill Blinov
Language:
English
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Safe to Download

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2.5 2019-11-04
Integration with the Files app added.
2.4 2015-04-23
More accurate 3J H-H couplings prediction.