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A fast empirical method for the calculation of molecular polarizability

✍ Scribed by Robert C. Glen

Book ID
104631690
Publisher
Springer Netherlands
Year
1994
Tongue
English
Weight
422 KB
Volume
8
Category
Article
ISSN
0920-654X

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✦ Synopsis

A simple empirical method for the calculation of static molecular polarizability is described. The method is based on Slater's rules for the calculation of effective atomic nuclear shielding constants. The calculated molecular polarizabilities of a series of organic molecules correlated well (r = 0.98) with experimental measurements. Accurate calculated polarizabilities can be obtained rapidly by this method and may prove useful in deriving relationships between chemical structure and properties.

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