Related Experiment Video
Updated: May 25, 2026

High-Resolution Neutron Spectroscopy to Study Picosecond-Nanosecond Dynamics of Proteins and Hydration Water
Published on: April 28, 2022
Spherical momentum distribution of the protons in hexagonal ice from modeling of inelastic neutron scattering data
D Flammini1, A Pietropaolo, R Senesi
1Università degli Studi di Roma Tor Vergata, Dipartimento di Fisica and Centro NAST, Via della Ricerca Scientifica 1, 00133 Roma, Italy.
Abstract:
The spherical momentum distribution of the protons in ice is extracted from a high resolution deep inelastic neutron scattering experiment. Following a recent path integral Car-Parrinello molecular dynamics study, data were successfully interpreted in terms of an anisotropic Gaussian model, with a statistical accuracy comparable to that of the model independent scheme used previously, but providing more detailed information on the three dimensional potential energy surface experienced by the proton. A recently proposed theoretical concept is also employed to directly calculate the mean force from the experimental neutron Compton profile, and to evaluate the accuracy required to unambiguously resolve and extract the effective proton potential from the experimental data.
More Related Videos
11:27Studying Soft-matter and Biological Systems over a Wide Length-scale from Nanometer and Micrometer Sizes at the Small-angle Neutron Diffractometer KWS-2
Published on: December 8, 2016
10:10Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures
Published on: December 1, 2020
Related Concept Videos
Atomic Nuclei: Nuclear Spin State Population Distribution
Hückel's Rule Diagram of π MOs: Frost Circle
A Frost circle is constructed by drawing a polygon whose number of edges is equal to the number of carbons of the given cyclic system, with one of the vertices pointing down. Then, a circle is drawn enclosing the polygon so that...
Gauss's Law: Spherical Symmetry
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR
Atomic Orbitals
¹H NMR: Complex Splitting
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied first.