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The tert-butyl cation on zeolite Y: A theoretical and experimental study

✍ Scribed by Nilton Rosenbach Jr.; Alex P.A. dos Santos; Marcelo Franco; Claudio J.A. Mota


Book ID
108109027
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
330 KB
Volume
485
Category
Article
ISSN
0009-2614

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✍ Barbara M. Kompe; J. Barrie Peel; John C. Traeger 📂 Article 📅 1993 🏛 John Wiley and Sons 🌐 English ⚖ 846 KB

The structures and energies for 16 different [ C,H, 1 + isomers were geometry optimized from ab initio molecular orbital calculations. The global minimum on the [ C,H,] + surface at the MP3/6-31G\* level was found to be the ethynyl cyclopropenylium cation (a), with a penta-1,Miynylium structure (b)