Research for the Environment
- Measurement of physicochemical properties of pure substances and mixtures;
- Leaching of soils, sediments and waste material;
- Passive sampling of organic pollutants in water and air (SPMD, MESCO, SPME);
- Trace analysis of organic substances (GC, HPLC).
- Chemical toxicity towards luminiscent bacteria and towards ciliates
- Structure-activity analyses of the toxicity of chemicals
- Quantum-chemical calculation methods (semiempirical, DFT, ab initio);
- Molecular modeling;
- Parameters to describe the molecular reactivity;
- Increment methods to predict compound properties from the molecular structure (own development software system ChemProp)
- Qualitative and quantitative structure-activity relationships;
- Multimedia models (fugacity theory + advection-diffusion equation);
- Applied statistics (multivariate techniques, continuous and categorial variables, simulation calculations to validate empirical regression relationships, artificial neural networks).
Berggren et al. 2015. Chemical safety assessment using read-across ...
Environ. Health Persp.
Yu H et al. 2015. In silico investigation of the thyroid hormone activity ...
Chem. Res. Toxicol.
Petersen et al. 2015. Laboratory calibration and field testing of the Chemcatcher-Metal ...
Environ. Sci. Pollut. Res.
Schubert et al. 2015. Radon, CO2 and CH4 as environmental tracers ...
Eur. Phys. J. Special Topics
Klüver et al. 2015. Fish Embryo Toxicity Test ...
Environ. Sci. Technol.
Cooper et al. 2015. Anaerobic microbial transformation of halogenated aromatics ...
Environ. Sci. Technol.
Orlinskiy et al. 2015. Forested headwaters mitigate pesticide effects ...
Sci. Total Environ.
Thalheim et al. 2015. A Branch-and-Bound Approach for Tautomer Enumeration.
More information is available here:
ChemProp - new download link
Important: The ChemProp download has been moved to a new server.
The current version is 6.3 (released on August 6 2015).
Be aware, older versions until 6.1 are expired already!
The change log is located here:
The license agreements as well as a poster about ChemProp (state of May 2012) are available for download:
Contact and News Feeds
Any questions to the department regarding internships as well as bachelor, master, diploma or dissertation theses):
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