Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5373977 | Chemical Physics | 2013 | 8 Pages |
Abstract
⺠UV, IR and hole-burning spectra of a tri-peptide Z-PLG-NH2 were measured in a jet. ⺠The laser desorption technique was used to evaporate the peptide. ⺠The conformers were detected but the population is mainly distributed to a single conformation. ⺠MD simulations and DFT calculations reproduced the IR spectrum except for NH stretch. ⺠Anharmonic vibrational analysis VQDPT reproduced the splitting of the NH stretch.
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Physical and Theoretical Chemistry
Authors
Shun-ichi Ishiuchi, Kohei Yamada, Shamik Chakraborty, Kiyoshi Yagi, Masaaki Fujii,