Theoretical Study of Vibrational Properties of Peptides: Force Fields in Comparison and Ab Initio Investigation
Infrared (IR) spectroscopy is a valuable tool to obtain information about protein secondary structure. The far-infrared (FIR) spectrum is characterized by a complex combination of different molecular contributions which, for small molecules, may be interpreted with the help of quantum-mechanical (QM...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-09-01
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| Series: | Condensed Matter |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2410-3896/7/3/53 |