Works matching IS 1432881X AND DT 2020 AND VI 139 AND IP 5
Results: 5
An electronic point of view on the inhibition of ALK-5 by bioactive candidates related to cancer.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 5, p. 1, doi. 10.1007/s00214-020-02602-2
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Influence of explicit water molecules on the charge migration dynamics of peptidomimetics: a DFT study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 5, p. 1, doi. 10.1007/s00214-020-02609-9
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Two-dimensional Si3C: a promising high-capacity anode material for sodium-ion batteries.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 5, p. 1, doi. 10.1007/s00214-020-02603-1
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- Article
Benchmarking lattice energy of a model 1D molecular HF crystal.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 5, p. 1, doi. 10.1007/s00214-020-02601-3
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Hypothesis for coordination number of critical fluid molecules expressed in model potential and critical temperature for simple substances.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 5, p. 1, doi. 10.1007/s00214-020-02590-3
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- Article