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The CNDO geometry of ethylene in the first singlet excited state

✍ Scribed by G.H. Kirby; K. Miller

Publisher: Elsevier Science
Year: 1969
Tongue: English
Weight: 313 KB
Volume: 3
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(69)85131-6

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✦ Synopsis

Approximate open shell SCF MO theory in the CNDO/2 scheme confirms the 90° twisted geometry of singlet excited ethylene and gives values of 114' for angle HCH and 1.38h for Y&.

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