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Fachgebiet Theoretische Chemie
Technische Universität München
Fachgebiet Theoretische Chemie
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Fachgebiet Theoretische Chemie
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Fachgebiet Theoretische Chemie
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Research
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Created by
Ion Chiorescu
, last modified by
Gray, Andrew
on
08.June 2017
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Quantum Chemistry: Electronic Structure of Complex Systems (Large Molecules, Clusters, Surfaces and Solids)
ParaGauss - parallel density functional software
Relativistic effects in molecules (Douglas-Kroll, spin-orbit interaction)
Environmental chemistry of actinides: complexation in solution and sorption on mineral surfaces
Heterogeneous catalysis
Electronic structure of metal clusters
Zeolites
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