Potential energy and dipole moment surfaces for HF@C60: Prediction of spectral and electric response properties
Author:
Affiliation:
1. Department of Chemistry, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada
Funder
Gouvernement du Canada | Natural Sciences and Engineering Research Council of Canada
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5006589
Reference63 articles.
1. Does H2 Rotate Freely Inside Fullerenes?
2. Encapsulation of Molecular Hydrogen in Fullerene C 60 by Organic Synthesis
3. Synthesis and Properties of Endohedral C60 Encapsulating Molecular Hydrogen
4. Quantum dynamics of coupled translational and rotational motions of H2 inside C60
5. H2, HD, and D2 inside C60: Coupled translation-rotation eigenstates of the endohedral molecules from quantum five-dimensional calculations
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