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The relevant low\u2010lying potential energy surfaces, which were calculated with limited configuration interaction (CI), were studied by optimizing intermediates and transition structures and by introducing linear interpolations between these stationary points. The main initial reaction step for all important products is an \u03b1 cleavage of one C\uf8ffS bond. This leads to an intermediate that can be classified as an excited singlet diradical. Its electronic structure is described with a two\u2010electron, three\u2010orbital model. Starting from this initially generated intermediate, the reaction branches into several pathways leading to various products. Feasible reaction pathways were established for all important products consistent with experiments. \u00a9 1995 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540160403","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T00:41:51Z","timestamp":1104626511000},"page":"405-413","source":"Crossref","is-referenced-by-count":2,"title":["SINDO1 study of the photoreaction of tetramethylene sulfone"],"prefix":"10.1002","volume":"16","author":[{"given":"Heiko","family":"Gerwens","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Karl","family":"Jug","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1016\/B978-0-12-481303-8.50015-9"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00238a010"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1021\/jo00295a011"},{"key":"e_1_2_1_5_2","doi-asserted-by":"crossref","first-page":"126","DOI":"10.1021\/jo00001a025","volume":"56","author":"Jug K.","year":"1991","journal-title":"J. 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