{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,7,30]],"date-time":"2025-07-30T10:59:11Z","timestamp":1753873151998,"version":"3.41.2"},"reference-count":61,"publisher":"AIP Publishing","issue":"22","funder":[{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["CHE09-56776"],"award-info":[{"award-number":["CHE09-56776"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2012,12,14]]},"abstract":"<jats:p>We report electronically nonadiabatic dynamics calculations including spin\u2013orbit coupling for the photodissociation of CH2ClBr to yield Cl(2P3\/2), Cl(2P1\/2), Br(2P3\/2), and Br(2P1\/2). The potential energy is a 24 \u00d7 24 matrix (divided up here into four 6 \u00d7 6 blocks in a first approximation to the problem), in a spin-coupled fully diabatic representation obtained by combining the spin-free fourfold way with single-center spin\u2013orbit coupling constants. The spin-free calculations are carried out by multiconfiguration quasidegenerate perturbation theory, and the fully diabatic potentials including spin\u2013orbit coupling are fit to a matrix reactive force field. The dynamics are carried out by the coherent switches with decay of mixing method in the diabatic representation. The results show qualitative agreement with experiment.<\/jats:p>","DOI":"10.1063\/1.4747704","type":"journal-article","created":{"date-parts":[[2012,9,15]],"date-time":"2012-09-15T10:21:31Z","timestamp":1347704491000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":16,"title":["Photochemistry in a dense manifold of electronic states: Photodissociation of CH2ClBr"],"prefix":"10.1063","volume":"137","author":[{"given":"Rosendo","family":"Valero","sequence":"first","affiliation":[{"name":"University of Coimbra 1 Department of Chemistry, , Coimbra, Portugal"}]},{"given":"Donald G.","family":"Truhlar","sequence":"additional","affiliation":[{"name":"University of Minnesota 2 Department of Chemistry and Supercomputing Institute, , Minneapolis, Minnesota 55455-0431, USA"}]}],"member":"317","published-online":{"date-parts":[[2012,9,14]]},"reference":[{"key":"2023062521163917400_c1","doi-asserted-by":"publisher","first-page":"457","DOI":"10.1002\/andp.19273892002","volume":"389","year":"1927","journal-title":"Ann. 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