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Revealing the Role of Ancillary Ligands in Modulating Bonding, Redox Properties, and Electronic Absorption Spectra of Uranium(IV) Metallocene Complexes

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Quantifying Covalency and Environmental Effects in RASSCF-Simulated O K-Edge XANES of Uranyl

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The Role of Halides in the Bonding and Electronic Structure of Actinyl(VI) Halides─Energy Match Driven Stability

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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

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Importance of the Type of Bread: Comparing Uranocene, Bis(Phthalocyaninato)Uranium(IV), and Mixed Uranophthalocyanin-ocene

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Synthesis of Trapen Ligand-Based U(IV) and Th(IV) 2-Phosphaethynolate Complexes and Comparison of Covalency with Corresponding Ti(IV) Analogues

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Atomic Orbital Energy Matching vs Overlap in Actinide-Ligand Dative Bonding

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Actinide 5f Occupations: The Case of PuO2

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Progress in Nonaqueous Molecular Uranium Chemistry: Where to Next?

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Bonding and Interactions in UO22+ for Ground and Core Excited States: Extracting Chemistry from Molecular Orbital Calculations

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Oxidation State Dependence of the Actinide M4/5-Edge XANES of Actinyl (An = U, Np, Pu) Systems

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Overdestabilization vs Overstabilization in the Theoretical Analysis of f-Orbital Covalency

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