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Dissociation of Benzene Dication [C 6 H 6 ] 2+ : Exploring the Potential Energy Surface †

✍ Scribed by Anand, Smriti; Schlegel, H. Bernhard

Book ID
126325048
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
357 KB
Volume
109
Category
Article
ISSN
1089-5639

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The CH dissociation energy of C2H6
The CH dissociation energy of C2H6
✍ Charles W. Bauschlicher Jr.; Harry Partridge 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 429 KB

The C-H bond energy in C2H 6 is computed to be 99.76 \_+ 0.45 kcal/mol, which is in excellent agreement with the most recent experimental values. The calculation of the C-H bond energy by direct dissociation and by an isodesmic reaction is discussed.