Frank Neese

143PUBLICATIONS
318CO-AUTHORS
Nonlinear optics and spectroscopyElectronic and magnetic properties of condensed matter; superconductivityOrganometallic chemistryComputational chemistryTheoretical quantum chemistry
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Publications (143)

|Oct 26, 2026
High-Spin-Locked Fe(II) Spin-Crossover Compounds: THz-EPR Investigations and Spin-Phonon Coupling.

|Oct 19, 2026
Probing Magnetic Anisotropy in (NBun4)2[ReX6] (X = Cl, Br, I): Ligand Field of the ReIV-Halide Bonds in Distorted Octahedral Complexes.

|Oct 01, 2026
Axial Ligand Effects on Electronic Structures and H‑Atom Abstraction by Oxidoiron(IV) Complexes Featuring Triplet-Only Reactivity.

|Sep 09, 2026
Fully internally contracted multi-reference configuration interaction methods as efficient tools for the calculation of exchange couplings in organic biradicals.

|Jun 29, 2026
Local Energy Decomposition of Intramolecular Interactions: The CovaLED Approach and Its Application to Molecular Recognition in Biomolecular Assemblies.

|Mar 31, 2026
Electron Transfer and Exchange Interactions in Mixed-Valence Radical Anions, Radical Cations, and Neutral Diradicals Derived from Bridged Bis-Triarylmethyl Systems.

Leon Euringer, Michael Franz, Marco Holzapfel

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Frequent Collaborators

29 joint publications

Giovanni Bistoni

14 joint publications

Dimitrios A Pantazis

14 joint publications

Ahmet Altun

13 joint publications

Mihail Atanasov