Molecular topological research on the alkanes
WU Qi-xun · jOURNAL OF southwest University for Nationalities · 2006
In this paper,a novel topological index Zw based on the adjacency matrix D is derived.The index has good discrimination between isomeric alkanes,P3 and P2,and is highly correlated with the selected physicochemical properties of alkanes.All properties are well modeled(r0.99).The results show that Zw is an excellent topological index with high correlation property and good structural selectivity.