| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384731 | Chemical Physics Letters | 2011 | 5 Pages |
Abstract
⺠Non-uniform shifts in vibrational spectra accompany transition from liquid to solid. ⺠Modes associated with spectral shifts involve significant motion of H atoms. ⺠Polarized Raman spectra facilitate assignment of CH stretching region of pyrimidine. ⺠The crystalline environment was modeled with eight neighboring pyrimidines. ⺠DFT computations with this model include the eight nearest neighbor CHâ¯N interactions and reproduce most shifts.
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Authors
Ashley M. Wright, Lynn V. Joe, Austin A. Howard, Gregory S. Tschumper, Nathan I. Hammer,