Works matching IS 1432881X AND DT 2023 AND VI 142 AND IP 3
Results: 7
Density functional study on electrochemical reduction of carbon dioxide to C1 products using zinc oxide catalyst.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 3, p. 1, doi. 10.1007/s00214-023-02971-4
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Antioxidant activity of Hibiscetin and Hibiscitrin: insight from DFT, NCI, and QTAIM.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 3, p. 1, doi. 10.1007/s00214-023-02970-5
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Probing solvation electrostatics at the air–water interface.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 3, p. 1, doi. 10.1007/s00214-023-02969-y
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An exotic 3-center/4-electron carbon–carbon pi long-bond: Is it tangible?
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 3, p. 1, doi. 10.1007/s00214-023-02968-z
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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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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 3, p. 1, doi. 10.1007/s00214-023-02967-0
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DFT calculations predict that inverted geometries at carbon can be stabilized within multi-component co-crystals.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 3, p. 1, doi. 10.1007/s00214-023-02966-1
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Reconsideration of chemical indices in conceptual density functional theory.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 3, p. 1, doi. 10.1007/s00214-023-02962-5
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- Article