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Bond function parameter transferability in SO2, SF2 and SO2F2

✍ Scribed by P.G. Burton; N.R. Carlsen


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
440 KB
Volume
46
Category
Article
ISSN
0009-2614

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✦ Synopsis


Ab initio MO studies of thc use ofgaussian bond functions yi the molecules SOz, SF2 and SO2 & are presen ted. It is shown that optimization of bond Function exponent and position parameters in the small molecules is a good approximation to the optimum parameter set for SOaF2 1. Zntruduction


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