Structural Analysis of Porphyrinoids Molecular structures of porphyrinoid macrocycles can be represented by a linear combination of their vibrational normal modes. With PorphyStruct displacement diagrams can be generated and simulated to gain insight into the conformation of the obtained substance.
A Library for processing of chemistry related files (aiming at spectroscopy and structural files) - To give multiple projects a single codebase
Generates Profilpictures based on the design of the german green party Bündnis 90/Die Grünen.
CHN Tool:
Recalculates elemental analysis (CHN) with possible impurities. Click here to use: https://chn.jenskrumsieck.de- OxyPlot.SkiaSharp.Blazor: Blazor Webassembly Integration of the popular plotting library OxyPlot
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Scripts: PorphyStruct Scripts | ORCA Scripts | Spectroscopy Scripts
S. Eulberg, N. Schulze, J. Krumsieck, N. Klein, M. Bröring, Angew. Chem. Int. Ed., 2023 , 62, e202306598, DOI: 10.1002/anie.202306598
PorphyStruct – A Digital Tool for the Quantitative Assignment of Non-Planar Distortion Modes in Four-Membered Porphyrinoids
J. Krumsieck, M. Bröring, Chem. Eur J., 2021, 27, 11580-11588, DOI: 10.1002/chem.202101243
Zinc‐ and Cadmium meso‐Aryl‐Isoporphyrins: Non‐Aromatic NIR Dyes with Distinct Conformational Features
Ç. Baş, J. Krumsieck, W.-D. Möller, D. Körner, M. Bröring, Chem. Eur. J., 2021, 27, 8021 – 8029, DOI: 10.1002/chem.202100686.
P. Schweyen, M. Hoffmann, J. Krumsieck, B. Wolfram, X. Xie, M. Bröring, Angew. Chem. Int. Ed., 2016, 55, 10118, DOI: 10.1002/anie.201604297.
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