Browsing by Subject "Karplus equation"
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MSpin‐JCoupling. A modular program for prediction of scalar couplings and fast implementation of Karplus relationships (Wiley, 2018-05-17)MSpin‐JCoupling is a modular program for the prediction of scalar couplings using a large variety of Karplus relationships. The program was specially designed for small molecule analysis and can be run in graphical or ...