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Future Trends of Indoor SVOC Partitioning under Climate Change: Temperature-Dependent Partition Coefficients
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Jiangyue Zhao, Tunga Salthammer, Erik Uhde, Lukas Wittmann, Alexandra Schieweck. Future Trends of Indoor SVOC Partitioning under Climate Change: Temperature-Dependent Continue reading »
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Critical Evaluation of Enthalpies of Formation and Phase Transitions of Amino Acids with a New Approach Based on Solution Calorimetry, Quantum Cluster Growth, COSMO-RS, and PC-SAFT
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Dzmitry H. Zaitsau, Maximilian Trawny, Jonas F. Arndt, Lukas Wittmann, Christoph Held, Riko Siewert. Critical Evaluation of Enthalpies of Formation Continue reading »
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Supramolecular Host-Guest Complexation Dynamics by Cost-Efficient Electronic Structure Methods
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Thomas Gasevic, Christoph Plett, Lukas Wittmann, Iago Neira, Carlos Peinador, Marcos D. Garcia, Andreas Hansen. Supramolecular Host-Guest Complexation Dynamics by Continue reading »
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Modified Opposite-Spin-Scaled Double-Hybrid Functionals
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Golokesh Santra, Markus Bursch, Lukas Wittmann. Modified Opposite-Spin-Scaled Double-Hybrid Functionals. The Journal of Physical Chemistry A. 2025; The Journal of Continue reading »
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Analytical First Derivatives of the SCF Energy for the Conductor-Like Polarizable Continuum Model With Non-Static Radii
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Lukas Wittmann, Miquel Garcia-Rates, Christoph Riplinger. Analytical First Derivatives of the SCF Energy for the Conductor-Like Polarizable Continuum Model With Continue reading »
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Quantum chemical calculations for predicting the partitioning of drug molecules in the environment
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Lukas Wittmann, Tunga Salthammer, Uwe Hohm. Quantum chemical calculations for predicting the partitioning of drug molecules in the environment. Environmental Continue reading »
Lukas Wittmann
I'm a passionate theoretical scientist who finds joy in developing theories and algorithms that try to capture the complex physical nature of chemistry.