Abstract

Quantitative measures of the similarity of momentum-space electron densities are investigated using ab initio and semiempirical wave functions. The model series CH 3 OCH 3 , CH 3 SCH 3 , and CH 3 CH 2 CH 3 is examined. A family ofdissimilarity indices D AB (n) appears to be particularly useful. The electron densities of individual C-F bonds and C-H bonds in CH 4 , CH 3 F, CH 2 F 2 , CHF 3 , and CF 4 are compared

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