Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5374882 | Chemical Physics | 2010 | 10 Pages |
Abstract
DFT and BOMD calculations yield frequencies and intensities that match those in experimental INS and THz spectra.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Robert W. Williams, Edwin J. Heilweil,