Аннотация:
As a supplement to the widely used general AMBER force field, a set of parameters is proposed for molecular dynamics modeling of the structure and properties of polymer chains in polyalkylsiloxane matrices of materials capable of selfhealing after stress loads.
Ключевые слова:
siloxanes, GAFF, force field, polydimethylsiloxane, molecular mechanics.
Образец цитирования:
G. I. Makarov, T. M. Makarova, “General AMBER force field parameters for modeling polyalkylsiloxane chains”, Mendeleev Commun., 35:2 (2025), 221–223