https://www.selleckchem.com/pr....oducts/colivelin.htm
An approximate scheme that only considers the joint distribution of the first two Rouse modes-the ellipsoid model-is also explored.We present a methodology that, for the first time, allows rigorous quantum calculation of the inelastic neutron scattering (INS) spectra of a triatomic molecule in a nanoscale cavity, in this case, H2O inside the fullerene C60. Both moieties are taken to be rigid. Our treatment incorporates the quantum six-dimensional translation-rotation (TR) wave functions of the encapsulated H2O, which serve as the spat
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