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Ågren, Hans; Ahmadzadeh, Karan; Trzęsowska, Natasza; Wysokiński, Rafał; Rinkevicius, Zilvinas; Zaleśny, Robert; Hu, Wei; Ośmiałowski, Borys, 2026, "Two- and three-photon absorption of organoboron dyes", https://doi.org/10.18150/3MT6Y4, RepOD, V1
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The project aimed at the analysis of two- and three-photon absorptions for a set comprising 450 conjugated molecules performed at tdensity functional theory level. The molecular set is composed of organoboron dyes presenting various core topologies combined with a palette of conjugated linkers giving donor–acceptor architectures. The repository contains two- and three-photon transition strengths analyzed in the article.
electronic structure, multiphoton absorption
Karan Ahmadzadeh, Natasza Trzęsowska, Rafał Wysokiński, Zilvinas Rinkevicius, Robert Zaleśny, Wei Hu, Borys Ośmiałowski, Hans Ågren, 2025, Structure of Organoboron Dyes and Multiphoton Absorption: Insights from Theory, The Journal of Physical Chemistry Letters, 16, 37, 9693-9700 https://doi.org/10.1021/acs.jpclett.5c02066 doi: 10.1021/acs.jpclett.5c02066
CC BY - Creative Commons Attribution 4.0
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