A quantum chemical study on the thermal degradation reaction of polyesters
β Scribed by Isamu Shigemoto; Tomonori Kawakami; Hiroshi Taiko; Mitsutaka Okumura
- Book ID
- 113857017
- Publisher
- Elsevier Science
- Year
- 2012
- Tongue
- English
- Weight
- 1006 KB
- Volume
- 97
- Category
- Article
- ISSN
- 0141-3910
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## Abstract This report is part of an extensive investigation on thermal and thermooxidative degradation. The results of an analysis of the products formed during degradation of the glycol esters of phthalic, maleic, adipic and sebacic acids are discussed. The experiments were carried out in an app
AM1 molecular orbital method uing the unrestricted Hartree-F&( UHF) calculations has been applied to investigkte the thermal reaction of cyclohexadiene and methyl crotonate. The calculated reed& iqdicate that the thermal Diels-Alder reaction proceeds to product through the concerted path and two rad