Abstract
In this chapter, the computational setups used for the quantum chemical calculations in this thesis are introduced. The active space will be discussed thoroughly. All methods and calculations were applied on the BODIPY dye introduced in chapter 1 and shown in Figure 1.5.
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© 2019 Springer Fachmedien Wiesbaden GmbH, part of Springer Nature
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Ziems, K. (2019). Computational Details. In: Photophysics and Photochemistry of a BODIPY‐Based Photosensitizer. BestMasters. Springer Spektrum, Wiesbaden. https://doi.org/10.1007/978-3-658-26188-7_3
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DOI: https://doi.org/10.1007/978-3-658-26188-7_3
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Online ISBN: 978-3-658-26188-7
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