Comparison of QSPR Models Based on Hydrogen-Filled Graphs and on Graphs of Atomic Orbitals

Croatica Chemica Acta

Toropova, Alla P.¹  Gutman, Ivan¹  Toropov, Andrey A.¹ 

关键词: chemical graph theory;    molecular graph;    graph of atomic orbitals;    GAO;    Morgan extended connectivity;    QSPR models;   

DOI  :  

学科分类：化学（综合）

来源: Croatica Chemica Acta

【 摘 要 】

QSPR models are studied for normal boiling points of alkanes, alkylbenzenes, and polyaromatic hydrocarbons, in terms of optimized correlation weights of local invariants of the hydrogen- -filled graphs (HFGs) and of the graphs of atomic...

【 授权许可】

Unknown