The transition states involved in the hetero-Diels-Alder reactions of acrylaldehyde-ethylene and butadiene-formaldehyde systems were characterized using an efficient method of locating a saddle point on the energy surface of two coordinates calculated with MIND0/3 method. It has been shown that para
✦ LIBER ✦
MINDO/3 study of some Diels-Alder reactions
✍ Scribed by Dewar, Michael J.; Griffin, Anselm C.; Kirschner, Steven
- Book ID
- 126793382
- Publisher
- American Chemical Society
- Year
- 1974
- Tongue
- English
- Weight
- 270 KB
- Volume
- 96
- Category
- Article
- ISSN
- 0002-7863
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## Abstract 2,3‐Dimethylenecephalosporin esters 1 undergo Diels‐Alder reaction with ethyl methacrylate and __O__‐ethyl __S__‐methyl dithiooxalate. The structure of the former reaction product 3a is in accordance with ^1^H‐NMR data as well as with theoretical considerations (FMO, MMX)