Hagen Neugebauer

1. A generally applicable atomic-charge dependent London dispersion correction
   2019/04/19 by Eike Caldeweyher, Sebastian Ehlert, Andreas Hansen +4 · 102 citations
   Chemistry · Physics and Astronomy · #Inorganic Fluorides and Related Compounds #Advanced Chemical Physics Studies #Crystallography and molecular interactions
2. Essential Roles of Cp Ring Activation and Coordinated Solvent During Electrocatalytic H ₂ Production with Fe(Cp ^N3 ) Complexes
   2023/10/09 by Bhumika Goel, Hagen Neugebauer, Andrew I. VanderWeide +5 · 1 voice · 1 citation
   Chemical Engineering · Chemistry · Energy · #CO2 Reduction Techniques and Catalysts #Carbon dioxide utilization in catalysis #Metal-Organic Frameworks: Synthesis and Applications
3. Dispersion-corrected r2SCAN based double-hybrid functionals
   2023/12/08 by Lukas Wittmann, Hagen Neugebauer, Stefan Grimme +1 · 1 voice · 1 citation
   Chemistry · Physics and Astronomy · Materials Science · #Metal-Organic Frameworks: Synthesis and Applications #Advanced Chemical Physics Studies #Machine Learning in Materials Science