Hagen Neugebauer
7PUBLICATIONS
14CO-AUTHORS
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Publications (7)
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|Jul 08, 2024
Pushing the Limits of Organometallic Redox Chemistry with an Isolable Mn(-I) Dianion.Ageliki Karagiannis, Hagen Neugebauer, Roger A Lalancette
|Dec 08, 2023
Dispersion-corrected r2SCAN based double-hybrid functionals.Lukas Wittmann, Hagen Neugebauer, Stefan Grimme
|Oct 20, 2023
Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT.Hagen Neugebauer, Peter Pinski, Stefan Grimme
|Sep 01, 2023
Toward Benchmark-Quality Ab Initio Predictions for 3d Transition Metal Electrocatalysts: A Comparison of CCSD(T) and ph-AFQMC.Hagen Neugebauer, Hung T Vuong, John L Weber
|Jul 04, 2023
High-throughput screening of spin states for transition metal complexes with spin-polarized extended tight-binding methods.Hagen Neugebauer, Benedikt Bädorf, Sebastian Ehlert
|May 30, 2019
Structure Optimisation of Large Transition-Metal Complexes with Extended Tight-Binding Methods.Markus Bursch, Hagen Neugebauer, Stefan Grimme
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Frequent Collaborators
5 joint publications
Stefan Grimme
4 joint publications
Markus Bursch
4 joint publications
Andreas Hansen
2 joint publications
Stefan Grimme
1 joint publications
Eike Caldeweyher
1 joint publications
Benedikt Bädorf
1 joint publications
John L Weber
1 joint publications
James Shee
1 joint publications
Peter Pinski
1 joint publications
Frank Neese
