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List of works by Katharina Doblhoff-Dier

Density Functional Theory for Molecule-Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not

scientific article published on 09 December 2020

Dielectric Decrement for Aqueous NaCl Solutions: Effect of Ionic Charge Scaling in Nonpolarizable Water Force Fields

scientific article published on 07 November 2019

Quantum Monte Carlo Calculations on a Benchmark Molecule-Metal Surface Reaction: H2 + Cu(111).

scientific article

Quantum Monte Carlo calculations on dissociative chemisorption of H<sub>2</sub> + Al(110): Minimum barrier heights and their comparison to DFT values

scientific article published on 01 December 2020

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