Conference publications

On the non-planatrity of O=C-N-H group in single amides and dipeptides of L-aminoacids

Samchenko A. A., Kondratiev M. S., Kabanov A. V., Komarov V. M.

Russia, Pushchino

"Математика. Компьютер. Образование". Cб. трудов XIII международной конференции. Под общей редакцией Г.Ю. Ризниченко Ижевск: Научно-издательский центр "Регулярная и хаотическая динамика", 2006. Vol. 2, 498pp. Pp. 455-466.

By using ab initio MP2 and semi-empirical РМ3 quantum-chemical calculations we discussed the non-planar structure bistability of O=C-N-H fragment in the form organization of simple amides and dipeptides. Influence of chemical substitution on structural polymorphism of the peptide group is shown.

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