Intermolecular interactions in solid benzene
โ Scribed by Kearley, G. J.; Johnson, M. R.; Tomkinson, J.
- Book ID
- 119945952
- Publisher
- American Institute of Physics
- Year
- 2006
- Tongue
- English
- Weight
- 831 KB
- Volume
- 124
- Category
- Article
- ISSN
- 0021-9606
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๐ SIMILAR VOLUMES
Spectroscopic studies of pure and isoiopic mised benzene crystals have shown that for the .Sl + So transition (i) the resonance interactions in pure CeH6 and C,5Dg arc identical; (iif the effects of the static (binding) forces are the =me in pure C6H5 and CsD6 crystais; and (iii) the gas-to-crystal
We have tested the performance of three frequently used density functionals (LDA, LDA+B, and LDA+B+LYP) in a study of the intermolecular interactions of benzene. Molecular geometries are satisfactory, with the gradient-corrected density functionals yielding slightly better results. The quadrupole mo