Albrecht Goez
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4 papers found
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Including protein density relaxation effects in first-principles embedding calculations of cofactor excitation energies
A Local Variant of the Conductor-Like Screening Model for Fragment-Based Electronic-Structure Methods
Modeling environment effects on pigment site energies: Frozen density embedding with fully quantum-chemical protein densities
Parametrization and Benchmark of DFTB3 for Organic Molecules
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