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First-principles anharmonic quantum calculations for peptide spectroscopy: VSCF calculations and comparison with experiments
2016
Physical Chemistry, Chemical Physics - PCCP
Preserved Fulltext
First-principles quantum calculations for anharmonic vibrational spectroscopy of three protected dipeptides are carried out and compared with experimental data.
doi:10.1039/c5cp05979h
pmid:26673682
fatcat:ia3raafq7za5nespy6ahvefdhi