Computational study of molecular hydrogen in zeolite Na–A. II. Density of rotational states and inelastic neutron scattering spectra
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1352733
Reference50 articles.
1. Computational study of molecular hydrogen in zeolite Na-A. I. Potential energy surfaces and thermodynamic separation factors for ortho and para hydrogen
2. Preferential physisorption of orthohydrogen over parahydrogen by sodium mordenite at 77 and 90 K. The role of molecular quadrupole-field gradient interaction for the hindered rotation of sorbed hydrogen
3. Lithium and sodium cation affinities of hydrogen, nitrogen, and carbon monoxide
4. Theoretical study of chromium(1+) and cobalt(1+) bound to hydrogen and nitrogen
5. Vibrational frequency shifts of diatomic molecules in interaction with a Na+ cation by ab initio calculations. Comparison with experiment on H2 and N2 adsorbed in NaA zeolite
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