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Theoretical and Computational Chemistry

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Dirk Reith

2 results in Authors: Dirk Reith

Theoretical and Computational Chemistry

Fine-Tuning Property Domain Weighting Factors and the Objective Function in Force Field Parameter Optimization

Robin Strickstrock, Alexander Hagg, Marco Hülsmann, Karl Kirschner, Dirk Reith

Version 2 posted 11 March 2024

273

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Theoretical and Computational Chemistry

The Performance of Dunning, Jensen and Karlsruhe Basis Sets on Computing Relative Energies and Geometries

Karl Kirschner, Dirk Reith, Wolfgang Heiden

Version 2 posted 23 December 2019

2,875

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