[Relation between the carcinogenic activity of conjugated polycyclic hydrocarbons and the form of their localized molecular orbitals].
The carcinogenic activity of some compounds is linked to the electronic structure of their molecules. The authors calculate the localized molecular orbitals (LMO) by means of a topologic method they have developed, based in the electronic distribution of a single molecular region, that coincides or is next to the K region, instead of having to consider the two classical regions (K and L).
D002273:Carcinogens; D008968:Molecular Conformation; D011083:Polycyclic Compounds; D013329:Structure-Activity Relationship
D002273:Carcinogens; D011083:Polycyclic Compounds
Relación entre la actividad cancerígena de los hidrocarburos policíclicos conjugados y la forma de sus orbitales moleculares localizados.