Documents

The spectrum of a metabolite may be predicted quantum mechanically, as illustrated in the following documents.  Online examples coming up.

• The Mechanics of MRS


• QM Predicted Spectra [The quantum mechanically predicted spectra of of 5 metabolites with respect to a 1.5 tesla Magnetic Resonance (MR) scanner and a Point Resolved Spectroscopy (PRESS) pulse sequence; echo time = 35 ms, repetition time = 1:5 s, Sinus Cardinal (SC) selective pulses, sampling time = 0:4 ms. The spectra were simulated using NMR SCOPE (jMRUI, Naressi et al. 2001). The physicochemical constants were obtained from (Govindarju 2000; Thompson & Allen 2001).]


• Analysis & Automatic Classification of Nuclear Magnetic Resonance Signals