UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. Our work contributes towards the following SDG(s):
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SDG 7 Affordable and Clean Energy
Profiles
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Carolin König
- Institute of Physical Chemistry and Electrochemistry - Professor
- Institute of Physical Chemistry and Electrochemistry, AG Computational Chemistry - Professor
- PhoenixD: Photonics, Optics, and Engineering – Innovation Across Disciplines (Cluster of Excellence 2122) - Professor
Person: Academic
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Comprehensive Comparison of Molecular Fragmentation Schemes for Proteins
Rüther, K., Bunge, K., Hilmer, L. M., Hellmers, J. I. & König, C., 14 Apr 2026, In: Journal of Chemical Theory and Computation. 22, 7, p. 3282-3304 23 p.Research output: Contribution to journal › Article › Research › peer review
Open Access -
Navigating the Landscape of Cycloartanyl Cations: Synthesis of Fortunefuroic Acid I, Parkeol, 25,26,27-Trinor-3α-hydroxy-17,13-friedolanosta-8,12-dien-23-one, and Spirochensilide A
Kizakis, M. G. K., Treger, M., Dräger, G., König, C. & Heretsch, P., 8 Apr 2026, In: Journal of the American Chemical Society. 148, 13, p. 13912-13920 9 p.Research output: Contribution to journal › Article › Research › peer review
Open Access -
Accessing Multiple Phases via Thermodynamic or Kinetic Pathways: The Impact of Bivalent Ferrocene Spacers on 2D Hybrid Perovskite Formation
Dahlke, M., Krysiak, Y., Treger, M., König, C. & Polarz, S., 5 Nov 2025, In: ACS Applied Materials & Interfaces. 17, 44, p. 60997-61006 10 p.Research output: Contribution to journal › Article › Research › peer review
Open Access
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Tailored vibrational structure theory for difference infrared spectra of photoactive flavoproteins
König, C. (Principal Investigator)
1 Aug 2024 → 31 Jul 2027
Project: Research
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Understanding and predicting spectroscopic signatures of biomolecular systems by tailored quantum-chemical approaches
König, C. (Principal Investigator)
1 Oct 2020 → 31 Jan 2026
Project: Research
Datasets
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Data associated with the study titled "Tailored anharmonic potential energy surfaces for infrared signatures"
Hellmers, J. (Creator), Czember, P. (Creator) & König, C. (Creator), Zenodo, 28 Oct 2024
DOI: 10.5281/zenodo.12754786, https://zenodo.org/records/14002766
Dataset
Prizes
Activities
- 3 Participation in a conference/workshop etc.
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17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop 2022
Hellmers, J. I. (Participant)
8 May 2022 → 12 May 2022Activity: Participating in or organising an event › Participation in a conference/workshop etc. › Research
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57th Symposium on Theoretical Chemistry
Jansen, M. (Participant)
20 Sept 2021 → 24 Sept 2021Activity: Participating in or organising an event › Participation in a conference/workshop etc. › Research
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57th Symposium on Theoretical Chemistry
Hellmers, J. I. (Participant)
20 Sept 2021 → 24 Sept 2021Activity: Participating in or organising an event › Participation in a conference/workshop etc. › Research