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