Frank Neese
Affiliations: | Chemistry | Max Planck Institute for Chemical Energy Conversion |
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Parents
Sign in to add mentor| Peter Michael Kroneck | grad student | 1997 | University of Konstanz |
| Edward I. Solomon | post-doc | 1997-1999 | Stanford |
Children
Sign in to add traineeCollaborators
Sign in to add collaborator| Joanna K. Kowalska | collaborator | 2014- | |
| Mahesh Sundararajan | collaborator | 2008-2010 | University of Bonn, Germany |
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Publications
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| Casanova-Páez M, Neese F. (2025) Core-Excited States for Open-Shell Systems in Similarity-Transformed Equation-of-Motion Theory. Journal of Chemical Theory and Computation |
| Leyser da Costa Gouveia T, Maganas D, Neese F. (2024) General Spin-Restricted Open-Shell Configuration Interaction Approach: Application to Metal K-Edge X-ray Absorption Spectra of Ferro- and Antiferromagnetically Coupled Dimers. The Journal of Physical Chemistry. A |
| Santra G, Neese F, Pantazis DA. (2024) Extensive reference set and refined computational protocol for calculations of Fe Mössbauer parameters. Physical Chemistry Chemical Physics : Pccp |
| Roemelt C, Peredkov S, Neese F, et al. (2024) Valence-to-core X-ray emission spectroscopy of transition metal tetrahalides: mechanisms governing intensities. Physical Chemistry Chemical Physics : Pccp |
| Rice DB, Wong D, Weyhermüller T, et al. (2024) The spin-forbidden transition in iron(IV)-oxo catalysts relevant to two-state reactivity. Science Advances. 10: eado1603 |
| Stavretis SE, Cheng Y, Daemen LL, et al. (2024) Probing Magnetic Excitations in Co Single-Molecule Magnets by Inelastic Neutron Scattering. European Journal of Inorganic Chemistry. 2019 |
| Rütter D, van Gastel M, Leutzsch M, et al. (2024) Molybdenum(VI) Nitrido Complexes with Tripodal Silanolate Ligands. Structure and Electronic Character of an Unsymmetrical Dimolybdenum μ-Nitrido Complex Formed by Incomplete Nitrogen Atom Transfer. Inorganic Chemistry. 63: 8376-8389 |
| Schulte Y, Wölper C, Rupf SM, et al. (2024) Structural characterization and reactivity of a room-temperature-stable, antiaromatic cyclopentadienyl cation salt. Nature Chemistry |
| Chrysina M, Drosou M, Castillo RG, et al. (2023) Nature of S-States in the Oxygen-Evolving Complex Resolved by High-Energy Resolution Fluorescence Detected X-ray Absorption Spectroscopy. Journal of the American Chemical Society |
| Hou K, Börgel J, Jiang HZH, et al. (2023) Reactive high-spin iron(IV)-oxo sites through dioxygen activation in a metal-organic framework. Science (New York, N.Y.). 382: 547-553 |