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Correlations between the benzene character of acenes or helicenes and simple molecular descriptors
Padmakar V Khadikar1, Sheela Joshi, Amrit V Bajaj
1Research Division, Laxmi Fumigation and Pest Control (P) Ltd, 3 Khatipura, Indore 452 007, India. pvkhadikar@rediffmail.com
Abstract:
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.
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