Nuclear inelastic scattering experiment

The above equations provide two alternative routes for calculating kinetic coefficients from simulations of a system at equilibrium. Averages in the above equations are ensemble averages, hence the results are ensemble-sensitive. The time correlation functions contain more information than just the kinetic coefficients. The Fourier transforms of time correlation functions can be related to experimental spectra. Nuclear magnetic resonance (NMR) measures the time correlation functions of magnetization, which is related to the reorientation of particular bonds in the polymer molecule inelastic neutron scattering experiments measure the time correlation functions of the atom positions infrared and Raman scattering spectroscopies measure the time correlation function of dipole moments and polarizabilities of the molecules. 

Dynamic magnetic susceptibilities as measured by electron-spin resonance, nuclear-spin resonance and inelastic neutron scattering experiments... 

The rate constant (36) and (37) as a function of temperature correlated well with the experimental data obtained for the carboxylic acid protons of crystalline perprotobenzoic acid and ring-deuterobenzoic acids by nuclear magnetic resonance 7) [75] and inelastic neutron scattering (for an analysis of the experiment see Refs. 76 and 77). It should be noted that some of the major parameters of the model (for instance,. /) allowed the direct determination by fluorescence line narrowing technique. 

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