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. 2024 Jul 22;14:16812. doi: 10.1038/s41598-024-66443-w

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© The Author(s) 2024, corrected publication 2024

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

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Optimised geometries of (a) chlorophyll a and (b) chlorophyll b in a COSMO model for water. White, grey, blue, red, and green balls represent hydrogen, carbon, nitrogen, oxygen, and magnesium atoms, respectively. (c) UV molar absorption spectra of both chlorophyll molecules reconstructed from dynamic polarisabilities. A Lorentzian broadening of 0.03 eV at HWHM was used. (d) UV ACD molar spectra of chlorophyll a and b reconstructed from dynamic polarisabilities. The same broadening as in (c) was used.