The Temperature Dependence of Neutron Inelastic Scattering from Water

Molecular Dynamics Calculation of Neutron Inelastic Scattering from Water*

The data generated by a molecular dynamics calculation on liquid water at 1 gm CM-3 and 10 °C have been used to simulate a neutron inelastic scattering experiment on water. It is shown that already at K '' 1 A-i the function w 2Snc(K, w)/K 2 i5 a good replica of the spectrum of proton velocity autocorrelation . It is emphasized that the separation of (K, o) into quasielastic and inelastic parts...

HD in C₆₀: theoretical prediction of the inelastic neutron scattering spectrum and its temperature dependence.

We report rigorous quantum calculations of the inelastic neutron scattering (INS) spectra of HD@C₆₀, over a range of temperatures from 0 to 240 K and for two incident neutron wavelengths used in recent experimental investigations. The computations were performed using our newly developed methodology, which incorporates the coupled five-dimensional translation-rotation (T-R) eigenstates of the g...

Concentration dependence of vibrational properties of bioprotectant/water mixtures by inelastic neutron scattering.

Neutron scattering has been demonstrated to be a powerful tool for characterizing the structure and dynamics of biological molecules and for investigating the physical and chemical mechanisms of biophysical processes. The aim of the present work is to investigate by inelastic neutron scattering (INS) the vibrational behaviour of a class of bioprotectant systems, such as homologous disaccharides...

Temperature and density dependence of the structural relaxation time in water by inelastic ultraviolet scattering.

The density and temperature dependence of the structural relaxation time (tau) in water was determined by inelastic ultraviolet scattering spectroscopy in the thermodynamic range (P=1-4000 bars, T=253-323 K), where several water anomalies take place. We observed an activation (Arrhenius) temperature dependence of tau at constant density and a monotonic density decrease at constant temperature. ...

Inelastic Neutron Scattering Techniques and Its Application to Ie Water