Works matching IS 17590876 AND DT 2022 AND VI 12 AND IP 5
Results: 12
Cover Image, Volume 12, Issue 5.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 5, p. 1, doi. 10.1002/wcms.1638
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Free and open source software for computational chemistry education.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 5, p. 1, doi. 10.1002/wcms.1610
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Structure–function relationship of long noncoding RNAs: Advances and challenges.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 5, p. 1, doi. 10.1002/wcms.1609
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Generative models for molecular discovery: Recent advances and challenges.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 5, p. 1, doi. 10.1002/wcms.1608
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From quantum‐derived principles underlying cysteine reactivity to combating the COVID‐19 pandemic.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 5, p. 1, doi. 10.1002/wcms.1607
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Software update: The ORCA program system—Version 5.0.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 5, p. 1, doi. 10.1002/wcms.1606
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Vibrational spectroscopy by means of first‐principles molecular dynamics simulations.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 5, p. 1, doi. 10.1002/wcms.1605
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Using machine‐learning‐driven approaches to boost hot‐spot's knowledge.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 5, p. 1, doi. 10.1002/wcms.1602
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A review of molecular representation in the age of machine learning.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 5, p. 1, doi. 10.1002/wcms.1603
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Issue Information.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 5, p. 1, doi. 10.1002/wcms.1552
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Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 5, p. 1, doi. 10.1002/wcms.1601
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Machine intelligence for chemical reaction space.
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- WIREs: Computational Molecular Science, 2022, v. 12, n. 5, p. 1, doi. 10.1002/wcms.1604
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