Publikationen von Vijay Gopal Chilkuri

Zeitschriftenartikel (6)

2021
Zeitschriftenartikel
Chilkuri, V. G.; Neese, F.: Comparison of many‐particle representations for selected‐CI I: A tree based approach. Journal of Computational Chemistry 42 (14), S. 982 - 1005 (2021)
Zeitschriftenartikel
Chilkuri, V. G.; Neese, F.: Comparison of Many-Particle Representations for Selected Configuration Interaction: II. Numerical Benchmark Calculations. Journal of Chemical Theory and Computation 17 (5), S. 2868 - 2885 (2021)
2020
Zeitschriftenartikel
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 (15-16), S. 1525 - 1538 (2020)
Zeitschriftenartikel
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 59 (2), S. 984 - 995 (2020)
2019
Zeitschriftenartikel
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 11 (11), S. 1019 - 1025 (2019)
2018
Zeitschriftenartikel
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 57 (15), S. 9515 - 9530 (2018)

Sonstige (1)

2020
Sonstige
Neese, F.; Lang, L.; Chilkuri, V. G.: Effective Hamiltonians in Chemistry, Topology, Entanglement, and Strong Correlations. Modeling and Simulation, Vol. 10 10, (2020)
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