Decoding chemical information from vibrational spectroscopy data: Local vibrational mode theory.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 5, p. 1, doi. 10.1002/wcms.1480
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- Article
Works matching IS 17590876 AND DT 2020 AND VI 10 AND IP 5
Results: 8
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Computational predictions of two‐dimensional anode materials of metal‐ion batteries.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 5, p. 1, doi. 10.1002/wcms.1473
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- Publication type:
- Article
3
Computational studies of DNA repair: Insights into the function of monofunctional DNA glycosylases in the base excision repair pathway.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 5, p. 1, doi. 10.1002/wcms.1471
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- Publication type:
- Article
4
Machine‐learning scoring functions for structure‐based drug lead optimization.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 5, p. 1, doi. 10.1002/wcms.1465
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- Publication type:
- Article
5
Coupled cluster theory in the condensed phase within the singles‐T density scheme for the environment response.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 5, p. 1, doi. 10.1002/wcms.1463
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- Publication type:
- Article
6
Generalized Kohn‐Sham energy decomposition analysis and its applications.
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- WIREs: Computational Molecular Science, 2020, v. 10, n. 5, p. 1, doi. 10.1002/wcms.1460
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- Publication type:
- Article
7
VeloxChem: A Python‐driven density‐functional theory program for spectroscopy simulations in high‐performance computing environments.
- Published in:
- WIREs: Computational Molecular Science, 2020, v. 10, n. 5, p. 1, doi. 10.1002/wcms.1457
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- Publication type:
- Article
8
Issue information.
- Published in:
- WIREs: Computational Molecular Science, 2020, v. 10, n. 5, p. 1, doi. 10.1002/wcms.1427
- Publication type:
- Article