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Exploratory theoretical study of the [2 + 2] cycloaddition between ketene and formaldehyde

✍ Scribed by Jean-Marc Pons; Agnès Pommier; Michel Rajzmann; Daniel Liotard


Book ID
113258595
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
191 KB
Volume
313
Category
Article
ISSN
0166-1280

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✍ Xiu-Hui Lu; Li-Min Zhai; Ayi-Xnan Wang 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 323 KB 👁 2 views

## Abstract The mechanism of the cycloaddition reaction of singlet stannylene and ethylene or formaldehyde has been studied by using density functional theory. The geometrical parameters, harmonic vibrational frequencies and energies of stationary points for potential energy surface are calculated