Modeling with Indices Obtained from Complete Graphs

Croatica Chemica Acta

Pogliani, Lionello¹ 

[1] Dipartimento di Chimica, Università della Calabria, 87030 Rende (CS), Italy

关键词: complete graph algorithm;    core electrons;    molecular modeling;    QSPR;    halogenated compounds;   

DOI  :  

学科分类：化学（综合）

来源: Croatica Chemica Acta

【 摘 要 】

Modeling quality of two different algorithms for the δ v number, the main parameter for many molecular connectivity indices, has been tested. The new algorithms for δ v are able to take into account the inner-core electrons...

【 授权许可】

Unknown