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A CNDO CI study of the electronic structure of sydnone and 3-methylsydnone

✍ Scribed by George H. Schmid


Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
422 KB
Volume
5
Category
Article
ISSN
0022-2860

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CNDO CI study of electronic structure an
✍ J.S. Yadav; P.C. Mishra; D.K. Rai πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 235 KB

The modified CNDO/Z method (CNDO/s) has been applied to study the electronic structure utd geometry of ortho-and meta-difluorobcnzcnes in their ground and first excited sinplct states. Calculated density matrices have been transformed into o-and n-bond orders by the technique suggested earlier. Bond