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   Research 11 March 2023 Article: 31

   

2. Antioxidant activity of Hibiscetin and Hibiscitrin: insight from DFT, NCI, and QTAIM

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3. Probing solvation electrostatics at the air–water interface

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4. Dramatic effect of the nature of R on the intrinsic acidity and basicity of potential astrochemical R–C≡COH and R–C≡CSH compounds

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5. An exotic 3-center/4-electron carbon–carbon pi long-bond: Is it tangible?

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6. Reconsideration of chemical indices in conceptual density functional theory

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7. DFT calculations predict that inverted geometries at carbon can be stabilized within multi-component co-crystals

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   Research 23 February 2023 Article: 25