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Ab initio CI study of the electronic spectrum of the allyl radical (CH2–CH–CH2)

✍ Scribed by Ha, Tae-Kyu; Baumann, H.; Oth, J. F. M.

Book ID
125837810
Publisher
American Institute of Physics
Year
1986
Tongue
English
Weight
524 KB
Volume
85
Category
Article
ISSN
0021-9606

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✍ Tae-Kyu Ha; Minh Tho Nguyen; L.G. Vanquickenborne 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 191 KB

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.