Aromatic stabilities of acenes and helicenes, which are responsible for their biological, environmental and cancerous behavior have been modeled using a newly introduced Sadhana (Sd) and A indices. The results are compared with those obtained from PI (Padmakar-Ivan) index. The regression analysis has shown that excellent results are obtained by considering acenes and helicenes as separate classes of isomeric benzenoid hydrocarbons and that A index is better index than both PI and Sd indices.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1016/j.bmcl.2003.12.062 | DOI Listing |
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!