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CNDO CI study of electronic structure and geometry in ground and excited states. ortho- and meta- difluorobenzenes

✍ Scribed by J.S. Yadav; P.C. Mishra; D.K. Rai

Publisher: Elsevier Science
Year: 1973
Tongue: English
Weight: 235 KB
Volume: 19
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(73)80401-4

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✦ Synopsis

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 lengths have been calculated

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