Inelastic neutron scattering spectrum of H2@C60 and its temperature dependence decoded using rigorous quantum calculations and a new selection rule
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4817534
Reference45 articles.
1. Theory and spectroscopy of an incarcerated quantum rotor: The infrared spectroscopy, inelastic neutron scattering and nuclear magnetic resonance of H2@C60 at cryogenic temperature
2. Coupled translation-rotation eigenstates of H2 in C60 and C70 on the spectroscopically optimized interaction potential: Effects of cage anisotropy on the energy level structure and assignments
3. Interaction potential and infrared absorption of endohedral H2 in C60
4. Quantum dynamics of coupled translational and rotational motions of H2 inside C60
5. H2, HD, and D2 inside C60: Coupled translation-rotation eigenstates of the endohedral molecules from quantum five-dimensional calculations
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2. Translational eigenstates of He@C60 from four-dimensional ab initio potential energy surfaces interpolated using Gaussian process regression;The Journal of Chemical Physics;2024-03-11
3. A nuclear configuration interaction approach to study nuclear spin effects: an application to ortho‐ and para‐3He2@C60;ChemPhysChem;2024-01-12
4. Real-time hydrogen molecular dynamics satisfying the nuclear spin statistics of a quantum rotor;Communications Chemistry;2022-12-03
5. H2O inside the fullerene C60: Inelastic neutron scattering spectrum from rigorous quantum calculations;The Journal of Chemical Physics;2022-03-28
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