An efficient UMP2 program
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P. ฤรกrsky; J. Fabian; B. A. Hess Jr.; L. J. Schaad
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Article
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1985
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John Wiley and Sons
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English
โ 233 KB
Timings are reported for 6-31G\*/UMP2 calculations on planar allene, twisted ethylene, cyclopropenyl anion, allyl, ethyl, isopropyl and CF, radicals performed by means of the programs GAUSSIAN 80 and HONDO UMP2. The comparison of the two programs is used for pointing out several factors affecting th