Works matching IS 17590876 AND DT 2020 AND VI 10 AND IP 1
Results: 10
Cover Image, Volume 10, Issue 1.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1002/wcms.1459
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Making machine learning a useful tool in the accelerated discovery of transition metal complexes.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1002/wcms.1439
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Theoretical X‐ray spectroscopy of transition metal compounds.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1002/wcms.1433
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Quasistructural molecules.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1002/wcms.1432
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The quantum chemistry of attosecond molecular science.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1002/wcms.1430
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From machine learning to deep learning: Advances in scoring functions for protein–ligand docking.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1002/wcms.1429
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Issue information.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1002/wcms.1423
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- Article
Learning from nature: Understanding hydrogenase enzyme using computational approach.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1002/wcms.1422
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Simulation and design of energy materials accelerated by machine learning.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1002/wcms.1421
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Recent advances in quantum‐mechanical molecular dynamics simulations of proton transfer mechanism in various water‐based environments.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1002/wcms.1419
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