2019-10-11 13:30 NFTMC D401 auditorijoje vyks Jungtinis cheminės fizikos seminaras:
Energy additivity in linear molecules
Andrés Cedillo (Mexico City Metropolitan University at Iztapalapa, Mexico)
Recently, an analysis of several families of linear molecular chains showed that the molecular energy grows as a linear function of the number of fragments in molecules of the form A-Bn-C, where A, B, and C are chemical fragments. Additionally, the difference in the energy per fragment of two consecutive molecular chains was fitted into a power law form showing similar exponents (close to 2) for all the families. A natural expression, different of the power law, is presented here for the previously mentioned difference. Further developments on this issue are also introduced.