Anharmonic Vibrational Properties from Intrinsic n -Mode State Densities
β Scribed by Kamarchik, Eugene; Jasper, Ahren W.
- Book ID
- 127365479
- Publisher
- American Chemical Society
- Year
- 2013
- Tongue
- English
- Weight
- 894 KB
- Volume
- 4
- Category
- Article
- ISSN
- 1948-7185
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π SIMILAR VOLUMES
From inelastic neutron scattering the density of vibrational states of l-cyanoadamantane has been measured both in its low-temperature monoclinic phase and its glassy phase. A strong increase in the low-frequency part of the spectrum in the glassy state with respect to the ordered state is shown. Wh
## Abstract Global minimum structures of neutral tin clusters with up to 20 atoms obtained recently from genetic algorithm simulations within a densityβfunctional approach (SchΓ€fer et al., J Phys Chem A 2008, 112, 12312) were used to evaluate the corresponding electronic properties. The evolution o