Publications of the MPI für Kohlenforschung

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Journal Article (5)

2021
Journal Article
Chilkuri, V. G.; Neese, F. Comparison of Many‐Particle Representations for Selected‐CI I: A Tree Based Approach. Journal of Computational Chemistry 2021, 42, 982–1005.
2020
Journal Article
Spiller, N.; Chilkuri, V. G.; DeBeer, S.; Neese, F. Sulfur Vs. Selenium as Bridging Ligand in Di‐Iron Complexes: A Theoretical Analysis. European Journal of Inorganic Chemistry 2020, 2020, 1525–1538.
Journal Article
Chilkuri, V. G.; DeBeer, S.; Neese, F. Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron–Sulfur Dimers. Inorganic Chemistry 2020, 59, 984–995.
2019
Journal Article
DeRosha, D. E.; Chilkuri, V. G.; Van Stappen, C.; Bill, E.; Mercado, B. Q.; DeBeer, S.; Neese, F.; Holland, P. L. Planar Three-Coordinate Iron Sulfide in a Synthetic [4Fe-3S] Cluster with Biomimetic Reactivity. Nature Chemistry 2019, 11, 1019–1025.
2018
Journal Article
Hahn, A. W.; Van Kuiken, B. E.; Chilkuri, V. G.; Levin, N.; Bill, E.; Weyhermüller, T.; Nicolaou, A.; Miyawaki, J.; Harada, Y.; DeBeer, S. Probing the Valence Electronic Structure of Low-Spin Ferrous and Ferric Complexes Using 2p3d Resonant Inelastic X-Ray Scattering (RIXS). Inorganic Chemistry 2018, 57, 9515–9530.

Other (1)

2020
Other
Neese, F.; Lang, L.; Chilkuri, V. G. Effective Hamiltonians in Chemistry. Topology, Entanglement, and Strong Correlations. Modeling and Simulation, Vol. 10. Forschungszentrum Jülich: Jülich, Germany 2020.
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