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Active Learning Configuration Interaction for Excited-State Calculations of Polycyclic Aromatic Hydrocarbons

artículo científico publicado en 2021

Bioinspired Nickel Complexes Supported by an Iron Metalloligand

scientific article published on 20 September 2020

DFT Study on the Catalytic Activity of ALD-Grown Diiron Oxide Nanoclusters for Partial Oxidation of Methane to Methanol

scientific article published on 17 February 2020

Effects of Covalency on Anionic Redox Chemistry in Semiquinoid-Based Metal-Organic Frameworks

scientific article published on 24 January 2020

Hydrogen Atom or Proton Coupled Electron Transfer? C-H Bond Activation by Transition-Metal Oxides

artículo científico publicado en 2019

Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides

scientific article published on 04 February 2019

Theoretical Investigation of Plutonium-Based Single-Molecule Magnets

artículo científico publicado en 2018

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