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Structures and energies of C4S4q (q=+1, 0, −1) isomers. A theoretical study

✍ Scribed by Jerabek, Paul; Frenking, Gernot


Book ID
125426294
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
768 KB
Volume
354-355
Category
Article
ISSN
1387-3806

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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