NMR Spectra Simulator (Python)
Published in Zenodo (CERN European Organization for Nuclear Research) • Sep 12, 2023
NobleIDNI7P05W85R19S09
Authors:
Gary Sharman
Abstract
This projects contains two files of Python code for simulating NMR spectra. The first one (nmrsim.py) contains classes SpinSystem and NMRSimulator, which can be used for simulating the Hamiltonian matrix of a spin system and the NMR spectrum associated to that spin system. The second one (simSpectra...
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