Johannes Neugebauer

46PUBLICATIONS
81CO-AUTHORS
PyrometallurgyChemical thermodynamics and energeticsTheoretical quantum chemistryNonlinear optics and spectroscopyOrganic semiconductors
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Publications (46)

|Jul 30, 2026
Stereodynamism in Pentacoordinate Al(Salen) Catalysts.

|Jul 17, 2026
Stereodynamism in Pentacoordinate Al(Salen) Catalysts.

|Dec 05, 2025
Large-Scale Modeling of Proton-Coupled Electron Transfer Based on Block-Localized Kohn-Sham Orbitals.

Lukas Lampe, Takeshi Yanai, Johannes Neugebauer

|Nov 18, 2025
Accuracy and Limitations of the Pair-Selected Multilevel Approach for DLPNO Coupled Cluster: Extensive Benchmark for Closed-Shell Organic Reactions.

Nalini Gurav, Nadim Ramez, Lukas Lampe

|Oct 21, 2025
Efficient Subsystem TDDFT Calculations for Optical Rotatory Dispersion of Molecules in Solution: Converging the Configurational Averaging for Norbornenone in Acetonitrile.

Sakyo Ochi, Niklas Niemeyer, Diddo Diddens

|Jul 24, 2025
Excited state dipole moments from ΔSCF: a benchmark.

Lukas Paetow, Johannes Neugebauer

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Frequent Collaborators

7 joint publications

Niklas Niemeyer

5 joint publications

Johannes Tölle

5 joint publications

Michael Ryan Hansen

5 joint publications

Armido Studer