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NMRPredict:

  Modgraph Home
  NMRPredict Overview
  3D Conformer proton prediction
  Substituent chemical shift prediction
  Parametrised functional groups
  GMMX force field calculation

 

 

 

Proton NMR Prediction

Two complementary approaches

NMRPredict includes two different but very complementary approaches to proton NMR prediction - the 3D Conformer approach from Professor Ray Abraham of the University of Liverpool and the substituent chemical shift approach from Professor Ernö Pretsch of ETH, Zürich.