All NMR
source

All NMR

(2)
Price
$179.99
Category
Education Productivity
Last update
Jul 07, 2021
Publisher
Kirill Blinov Contact publisher
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Ratings & Reviews performance

Ratings & Reviews performance provides an overview of what users think of your app. Here are the key metrics to help you identify how your app is rated by users and how successful is your review management strategy.

Number of reviews,
total
2
Avg rating,
total
⭐5.0
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Description

686 chars

App to predict 13C and 1H NMR spectra: draw a structure to see its spectra. 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). - Instantly re-calculate spectra while changing structure; - Predicted spectra stored in iCloud and synchronised among all iOS devices and Mac version; - 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

Screenshots

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