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Semi-empirical calculation of static molecular polarizability using CHFT: some benzene derivatives and aromatic heterocycles

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The static polarizability of fifteen organic molecules (point group symmetry:C 2v; number of electrons ≥ 26) have been theoretically calculated using the CNDO/S-CHFT scheme and the results have been compared with other available data.

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Dedicated to Professor Sadhan Basu on the occasion of his 65th birth anniversary.

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Sen, R., Bhattacharyya, S. Semi-empirical calculation of static molecular polarizability using CHFT: some benzene derivatives and aromatic heterocycles. Proc. Indian Acad. Sci. (Chem. Sci.) 96, 281–284 (1986). https://doi.org/10.1007/BF02974161

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  • DOI: https://doi.org/10.1007/BF02974161

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