Experimental inelastic neutron scattering spectrum of hydrogen hexagonal clathrate-hydrate compared with rigorous quantum simulations

Rigorous quantum treatment of inelastic neutron scattering spectra of a heteronuclear diatomic molecule in a nanocavity: HD in the small cage of structure II clathrate hydrate

(2013) Minzhong Xu et al.   CHEMICAL PHYSICS LETTERS

Neutron Scattering Measurements and Computation of the Quantum Dynamics of Hydrogen Molecules Trapped in the Small and Large Cages of Clathrate Hydrates

(2013) Daniele Colognesi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

(2013) M. Xu et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Experimental and theoretical analysis of the rotational Raman spectrum of hydrogen molecules in clathrate hydrates

(2011) Alessandra Giannasi et al.   JOURNAL OF CHEMICAL PHYSICS

Inelastic neutron scattering spectra of a hydrogen molecule in a nanocavity: Methodology for quantum calculations incorporating the coupled five-dimensional translation-rotation eigenstates

(2011) Minzhong Xu et al.   PHYSICAL REVIEW B

Quantum calculation of inelastic neutron scattering spectra of a hydrogen molecule inside a nanoscale cavity based on rigorous treatment of the coupled translation-rotation dynamics

(2011) Minzhong Xu et al.   PHYSICAL REVIEW B

Translation-rotation energy levels of one H2molecule inside the small, medium and large cages of the structure H clathrate hydrate

(2010) Álvaro Valdés et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantum dynamics of H2, D2, and HD in the small dodecahedral cage of clathrate hydrate: Evaluating H2-water nanocage interaction potentials by comparison of theory with inelastic neutron scattering experiments

(2008) Minzhong Xu et al.   JOURNAL OF CHEMICAL PHYSICS

Low temperature Raman spectra of hydrogen in simple and binary clathrate hydrates

(2008) Alessandra Giannasi et al.   JOURNAL OF CHEMICAL PHYSICS

Water Cavities of sH Clathrate Hydrate Stabilized by Molecular Hydrogen

(2008) Timothy A. Strobel et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Water Cavities of sH Clathrate Hydrate Stabilized by Molecular Hydrogen:  Phase Equilibrium Measurements

(2008) Ana Rita C. Duarte et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Inelastic neutron scattering from hydrogen clathrate hydrates

(2008) L Ulivi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER