Fully quantal calculation of H2 translation-rotation states in (H2)4@51264 clathrate sII inclusion compounds
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4803117
Reference38 articles.
1. Clathrate hydrates of hydrogen and neon
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5. Molecular Hydrogen Occupancy in Binary THF−H2 Clathrate Hydrates by High Resolution Neutron Diffraction
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3. Hydrogen Intramolecular Stretch Redshift in the Electrostatic Environment of Type II Clathrate Hydrates from Schrödinger Equation Treatment;Applied Sciences;2020-11-28
4. A new approach to estimate atomic energies;Journal of Molecular Modeling;2019-11-28
5. 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
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