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G3(MP2) Study of the C 3 H 6 O +• Isomers Fragmented from 1,4-Dioxane +•

✍ Scribed by Lam, Chow-Shing; Li, Wai-Kee; Chiu, See-Wing


Book ID
125493683
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
298 KB
Volume
109
Category
Article
ISSN
1089-5639

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Structures and stabilities of C3H4O+˙ is
✍ Michael L. McKee; Leo Radom 📂 Article 📅 1993 🏛 John Wiley and Sons 🌐 English ⚖ 577 KB

Six stable isomers and two transition structures were characterized on the C3H,0+' potential energy surface using the G2 procedure. Heat capacity corrections were made to allow the direct calculation of heats of formation at 1298 K. The most stable isomer is the methylketene radical cation (1, AH, 2