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The Vibrational Inelastic Neutron Scattering Spectrum of Dodecahedrane: Experiment and DFT Simulation
Angewandte Chemie (International Ed. in English)
|February 12, 2000
Abstract:
Vibrational frequencies that are forbidden in Raman and IR absorption can be observed by inelastic neutron scattering. In the case of the I(h)-symmetrical molecule dodecahedrane (shown schematically), the resulting spectrum agrees with a DFT calculation.