Fully quantal calculation of H2 translation-rotation states in the (p-H2)2@51264 clathrate hydrate inclusion compound
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4901057
Reference57 articles.
1. Encapsulation of Molecular Hydrogen in Fullerene C 60 by Organic Synthesis
2. Synthesis and Properties of Endohedral C60 Encapsulating Molecular Hydrogen
3. Synthesis and Reaction of Fullerene C70 Encapsulating Two Molecules of H2
4. Symmetry-Adapted Perturbation Theory Applied to Endohedral Fullerene Complexes: A Stability Study of H2@C60 and 2H2@C60
5. Accurate Quantum Chemical Description of Non-Covalent Interactions in Hydrogen Filled Endohedral Fullerene Complexes
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1. Hydrogen Intramolecular Stretch Redshift in the Electrostatic Environment of Type II Clathrate Hydrates from Schrödinger Equation Treatment;Applied Sciences;2020-11-28
2. Light molecules inside the nanocavities of fullerenes and clathrate hydrates: inelastic neutron scattering spectra and the unexpected selection rule from rigorous quantum simulations;International Reviews in Physical Chemistry;2020-08-11
3. Intramolecular stretching vibrational states and frequency shifts of (H2)2 confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets;The Journal of Chemical Physics;2019-09-28
4. H2, HD, and D2in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates;The Journal of Chemical Physics;2019-04-21
5. Quantum Dynamics of H2 and D2 Confined in Hydrate Structures as a Function of Pressure and Temperature;The Journal of Physical Chemistry C;2018-12-17
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