Theoretical studies on the diazacyclopen
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Daniel J. Pasto
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Article
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1992
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John Wiley and Sons
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English
โ 660 KB
Ab initio moleculur orbital calculations have been carried out on the various electronic states of2,3-(6), 2,4-(7), 2,s-(8), mid 3,4-diazacyclopentadienylidene (9) at the /idly geometry optimized 6-31 G?' level, with single point calculations being carried out at the MP216-31 G\* lever. The calculat