Category: Highlights

Controlling charge transfer to/from the Cu(111) surface through benzene functionalization

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Understanding OLED phosphorescence with SOC-TDDFT

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Chemical analysis of bicyclo(1.1.1) (R2E)3Bi2 complexes

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ZORA DFT explains subtle 129-Xe NMR parameters

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Bonding in Dinuclear Metalloradicals

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Encapsulated actinides predicted to fulfill 32-electron rule

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Characterization of an Atom-Precise Bimetallic Nanocluster

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BAND calculations explain break-through molecular charge transport experiment

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Hydrogen evolution catalyst characterized with EPR

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logKow: assessing bioaccumulation of flame retardants

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