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Diels-Alder reactions of (trifluoromethyl)ethene and (trifluoromethyl)styrenes with functionalized butadienes

✍ Scribed by Ojima, Iwao; Yatabe, Momoko; Fuchikami, Takamasa


Book ID
121478025
Publisher
American Chemical Society
Year
1982
Tongue
English
Weight
717 KB
Volume
47
Category
Article
ISSN
0022-3263

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Ab initio and semiempirical calculations
✍ Tietze, Lutz F. ;Fennen, Jens ;Geißler, Holger ;Schulz, Gerhard ;Anders, Ernst 📂 Article 📅 1995 🏛 John Wiley and Sons 🌐 English ⚖ 628 KB

## Abstract The transition structures of the hetero‐Diels‐Alder reaction of (__E__)‐ and (__Z__)‐1‐aza‐1,3‐butadiene (8 and 11) were studied by means of ab initio (UHF/6‐31+G\* and RHF/6‐31+G\*) and semiempirical (AM1, PM3) methods. The energy surface of the title reaction was calculated with AM1/C