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Ab initio CI study on the singlet-triplet separation of ethylidene, CH3CH

✍ Scribed by Tae-Kyu Ha; Minh Tho Nguyen; L.G. Vanquickenborne

Publisher: Elsevier Science
Year: 1982
Tongue: English
Weight: 191 KB
Volume: 92
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(82)87039-5

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✦ Synopsis

The smglct-trlplct energy scparetion of ethj bdcnc CH3CH has been calculatedat 10 kcJl/mol bysbm~tloCl ulculatlonr It IS suggssted 1h31 triplet CHsCH -although ZI loul mimmum on rhc potcntul surl~c -docsnor cust 3s a stsble mtcr- mcdlstc spr'crcs.

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