Hagen Neugebauer

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 7

Top Topics

Density Functional Theory

Molecular Dynamics

Transition Metal

Top Venues

Journal of the American Chemical Society

Journal of chemical theory and computation

Accounts of chemical research

Angewandte Chemie (International ed. in English)

This page only lists publications with an associated author ORCID identifier.

Publications

Ageliki Karagiannis, Hagen Neugebauer, Roger A Lalancette, Stefan Grimme, Andreas Hansen, Demyan E Prokopchuk
Pushing the Limits of Organometallic Redox Chemistry with an Isolable Mn(-I) Dianion. Journal of the American Chemical Society 146 (28) (2024)
Ageliki Karagiannis, Hagen Neugebauer, Roger A Lalancette, Stefan Grimme, Andreas Hansen, Demyan E Prokopchuk
Pushing the Limits of Organometallic Redox Chemistry with an Isolable Mn(-I) Dianion. Journal of the American Chemical Society (2024)
Hagen Neugebauer, Peter Pinski, Stefan Grimme, Frank Neese, Markus Bursch
Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT. Journal of chemical theory and computation (2023)
Hagen Neugebauer, Hung T Vuong, John L Weber, Richard A Friesner, James Shee, Andreas Hansen
Toward Benchmark-Quality Ab Initio Predictions for 3d Transition Metal Electrocatalysts: A Comparison of CCSD(T) and ph-AFQMC. Journal of chemical theory and computation (2023)
Hagen Neugebauer, Benedikt Bädorf, Sebastian Ehlert, Andreas Hansen, Stefan Grimme
High-throughput screening of spin states for transition metal complexes with spin-polarized extended tight-binding methods. Journal of computational chemistry (2023)
Markus Bursch, Hagen Neugebauer, Stefan Grimme
Structure Optimisation of Large Transition-Metal Complexes with Extended Tight-Binding Methods. Angewandte Chemie (International ed. in English) 58 (32) (2019)
Markus Bursch, Eike Caldeweyher, Andreas Hansen, Hagen Neugebauer, Sebastian Ehlert, Sebastian Ehlert
Understanding and Quantifying London Dispersion Effects in Organometallic Complexes. Accounts of chemical research 52 (1) (2018)