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A CNDO-CI study of the electronic structure of fulvene

โœ Scribed by Bernard Tinland


Publisher
Elsevier Science
Year
1969
Tongue
English
Weight
249 KB
Volume
3
Category
Article
ISSN
0022-2860

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CNDO CI study of electronic structure an
โœ J.S. Yadav; P.C. Mishra; D.K. Rai ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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