{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,30]],"date-time":"2026-09-30T05:59:38Z","timestamp":1790747978699,"version":"4.1.0"},"reference-count":60,"publisher":"Wiley","issue":"6","license":[{"start":{"date-parts":[[2025,2,4]],"date-time":"2025-02-04T00:00:00Z","timestamp":1738627200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc\/4.0\/"},{"start":{"date-parts":[[2025,2,4]],"date-time":"2025-02-04T00:00:00Z","timestamp":1738627200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemPhysChem"],"published-print":{"date-parts":[[2025,3,15]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Quantum chemical calculations of one\u2010photon absorption, electronic circular dichroism and anisotropy factor spectra for the A\u2010band transition of fenchone, camphor and 3\u2010methylcyclopentanone (3MCP) are reported. While the only weakly allowed nature of the transition leads to comparatively large anisotropies, a proper theoretical description of the absorption for such a transition requires to account for non\u2010Condon effects. We present experimental data for the anisotropy of 3MCP in the liquid phase and show that corresponding Herzberg\u2013Teller corrections are critical to reproduce the main experimental features. The results obtained with our comprehensive theoretical model highlight the importance of the vibrational degree of freedom, paving the way for a deeper understanding of the dynamics in electronic circular dichroism.<\/jats:p>","DOI":"10.1002\/cphc.202400898","type":"journal-article","created":{"date-parts":[[2024,12,23]],"date-time":"2024-12-23T12:29:23Z","timestamp":1734956963000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Anisotropy Factor Spectra for Weakly Allowed Electronic Transitions in Chiral Ketones"],"prefix":"10.1002","volume":"26","author":[{"given":"Leon A.","family":"Kerber","sequence":"first","affiliation":[{"name":"Dahlem Center for Complex Quantum Systems and Fachbereich Physik Freie Universit\u00e4t Berlin  D-14195 Berlin Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Oliver","family":"Kreuz","sequence":"additional","affiliation":[{"name":"Fachbereich Chemie Philipps-Universit\u00e4t Marburg  D-35032 Marburg Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tom","family":"Ring","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Physik Universit\u00e4t Kassel  D-34132 Kassel Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hendrike","family":"Braun","sequence":"additional","affiliation":[{"name":"Institut f\u00fcr Physik Universit\u00e4t Kassel  D-34132 Kassel Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Robert","family":"Berger","sequence":"additional","affiliation":[{"name":"Fachbereich Chemie Philipps-Universit\u00e4t Marburg  D-35032 Marburg Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1381-6300","authenticated-orcid":false,"given":"Daniel M.","family":"Reich","sequence":"additional","affiliation":[{"name":"Dahlem Center for Complex Quantum Systems and Fachbereich Physik Freie Universit\u00e4t Berlin  D-14195 Berlin Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,2,4]]},"reference":[{"key":"e_1_2_8_1_1","unstructured":"K. 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