Theoretical studies on the diazacyclopen
✍
Daniel J. Pasto
📂
Article
📅
1992
🏛
John Wiley and Sons
🌐
English
⚖ 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