Integrating MD simulations, physically derived scattering models, Bayesian model selection and polarisation analysis allows QENS to resolve anisotropic rotational diffusion in liquid benzene with stronger anisotropy than prior models indicated.
Overall picture and de- tails of diffusion dynamics for liquid benzene by quasielastic neutron scattering and mode distribu- tion analysis.J
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Lost in Translation: Simulation-Informed Bayesian Inference Improves Understanding of Molecular Motion From Neutron Scattering
Integrating MD simulations, physically derived scattering models, Bayesian model selection and polarisation analysis allows QENS to resolve anisotropic rotational diffusion in liquid benzene with stronger anisotropy than prior models indicated.