Ab InitioStudies on the Molecular Conformation of Lignin Model Compounds I. Conformational Preferences of the Phenolic Hydroxyl and Methoxy Groups in Guaiacol

Ab initio molecular orbital study of the

Ab initio molecular orbital study of the amide I vibrational interactions between the peptide groups in di- and tripeptides and considerations on the conformation of the extended helix

✍ Hajime Torii; Mitsuo Tasumi 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 325 KB 👁 2 views

Interrelationships among the coupling between the amide I vibrations of peptide groups, the wavenumber A-E 1 di †erence of the amide I mode and the conformation of helical polypeptide chains were examined theoretically. Ab initio molecular orbital (MO) calculations were performed for a glycine dipep