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Comments on “geometrical changes during the internal rotation in ethane”

✍ Scribed by H.J. Monkhorst


Book ID
107731308
Publisher
Elsevier Science
Year
1969
Tongue
English
Weight
83 KB
Volume
4
Category
Article
ISSN
0009-2614

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Comments on “geometrical changes during
✍ A. Veillard 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 170 KB

In an article by H. J. Monkhorst in a previous issue of this journal it is stated that the predominant geometrical change during the internal rotation in ethane is a stretching of the CC bond and that the rotation barrier presumah!y originates from the central bond only. These statements appear eith

Distortional effects on the ethane inter
✍ A. Veillard 📂 Article 📅 1969 🏛 Elsevier Science 🌐 English ⚖ 326 KB

Receised 7 February -969 Distortional effects on the barrier to L?p?nal rotation of ethane x-e investigated through ab tnttto calculations. yielding a theoretical barrier of 3.071 kcal/mole (experimental 2.928 kcal/mole). The com-Lwted barrier is 3.064 kcal/moIe ior borazane and 1.44 kcal/mole for m