Works matching IS 1432881X AND DT 2022 AND VI 141 AND IP 9
Results: 6
Expression for effective dielectric permittivity of polar liquid at molecular scale.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 9, p. 1, doi. 10.1007/s00214-022-02909-2
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Newly designed melatonin analogues with potential neuroprotective effects.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 9, p. 1, doi. 10.1007/s00214-022-02907-4
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Two-dimensional graphene-like g- and β-XC<sub>7</sub> (X = B, Al, N, P, and Ge) sheets: structural and electronic properties.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 9, p. 1, doi. 10.1007/s00214-022-02906-5
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Calculation of the intermolecular potential energy surfaces of HeH3+ by means of ab initio methods.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 9, p. 1, doi. 10.1007/s00214-022-02905-6
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Stability and catalytic properties of Pt–Ni clusters supported on pyridinic N-doped graphene nanoflakes: an auxiliary density functional theory study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 9, p. 1, doi. 10.1007/s00214-022-02904-7
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Tetradentate square-planar acetylumbelliferone–nickel (II) complex formation: a DFT and TD-DFT study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 9, p. 1, doi. 10.1007/s00214-022-02903-8
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- Article