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Parameters

The following parameters are used for the calculation of the spectra

• Peptide bond
  
  
• Peptide bond (with vibrational structure)
  
  
• Charge-transfer transitions
  • CT02009B
  • CT-0209B
  • CT03009A
  • CT-0309A
  • CT05009A
  • CT-0509A
  • CT01009A
  • CTAL009A
  • CT-AL09A
  • CTBE009A
  • CT-BE09A
  • CT15009A
  • CT-1509A
  • CTBT009B
  • CT-BT09B
  • CT08009A
  • CT-0809A
  • CTP2007A
  
  
• Aromatic side chain chromophores
  • Phenylalanine
  • Tyrosine
  • Tryptophan
  
  
• Aromatic side chain chromophores (with vibrational structure)
  • Phenylalanine
  • Tyrosine
  • Tryptophan
  
  
• Non-aromatic side chain chromophores
  • Asparagine
  • Aspartic acid
  • Glutamine
  • Glutamic acid
  
  
• Nucleic bases
  • Adenine
  • Guanine
  • Cytosine
  • Thymine
  • Uracil
  
  
• Naphthalenediimide
• Dimethylurea