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

Theory and spectroscopy of an incarcerated quantum rotor: The infrared spectroscopy, inelastic neutron scattering and nuclear magnetic resonance of H2@C60 at cryogenic temperature

(2011) Salvatore Mamone et al.   COORDINATION CHEMISTRY REVIEWS

Interaction of hydrogen with accessible metal sites in the metal–organic frameworks M2(dhtp) (CPO-27-M; M = Ni, Co, Mg)

(2010) Pascal D. C. Dietzel et al.   CHEMICAL COMMUNICATIONS

Quantum Dynamics of a Hydrogen Molecule Inside an Anisotropic Open-Cage Fullerene: Coupled Translation-Rotation Eigenstates and Comparison with Inelastic Neutron Scattering Spectroscopy†

(2010) Shufeng Ye et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Path Integral Molecular Dynamics Study of Small H2 Clusters in the Large Cage of Structure II Clathrate Hydrate: Temperature Dependence of Quantum Spatial Distributions

(2010) Alexander Witt et al.   Journal of Physical Chemistry C

Hydrogen Molecules inside Fullerene C70: Quantum Dynamics, Energetics, Maximum Occupancy, And Comparison with C60

(2010) Francesco Sebastianelli et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Inelastic neutron scattering of a quantum translator-rotator encapsulated in a closed fullerene cage: Isotope effects and translation-rotation coupling inH2@C60andHD@C60

(2010) A. J. Horsewill et al.   PHYSICAL REVIEW B

Methane molecule confined in the small and large cages of structure I clathrate hydrate: Quantum six-dimensional calculations of the coupled translation-rotation eigenstates

(2009) Ivana Matanović et al.   JOURNAL OF CHEMICAL PHYSICS

Rotor in a cage: Infrared spectroscopy of an endohedral hydrogen-fullerene complex

(2009) S. Mamone et al.   JOURNAL OF CHEMICAL PHYSICS

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

(2009) Minzhong Xu et al.   JOURNAL OF CHEMICAL PHYSICS

Coupled Translation−Rotation Eigenstates of H2, HD, and D2in the Large Cage of Structure II Clathrate Hydrate: Comparison with the Small Cage and Rotational Raman Spectroscopy†

(2009) Minzhong Xu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Energetics and Dynamics ofH2Adsorbed in a Nanoporous Material at Low Temperature

(2009) Lingzhu Kong et al.   PHYSICAL REVIEW LETTERS

Quantum Translator-Rotator: Inelastic Neutron Scattering of Dihydrogen Molecules Trapped inside Anisotropic Fullerene Cages

(2009) A. J. Horsewill et al.   PHYSICAL REVIEW LETTERS

Hydrogen adsorption strength and sites in the metal organic framework MOF5: Comparing experiment and model calculations

(2008) F.M. Mulder et al.   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

Quantum dynamics of coupled translational and rotational motions of H2 inside C60

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