Works matching IS 01928651 AND DT 2024 AND VI 45 AND IP 22
Results: 7
Extended N‐centered ensemble density functional theory of double electronic excitations.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 22, p. 1945, doi. 10.1002/jcc.27387
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- Article
An efficient method by combining different basis sets and SAPT levels.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 22, p. 1936, doi. 10.1002/jcc.27386
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- Article
The Nobel history of computational chemistry. A personal perspective.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 22, p. 1921, doi. 10.1002/jcc.27383
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- Article
Expanding chalcogen bonds in thiophenes to interactions with halogens.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 22, p. 1914, doi. 10.1002/jcc.27368
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- Article
Systematic improvement of empirical energy functions in the era of machine learning.
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- Journal of Computational Chemistry, 2024, v. 45, n. 22, p. 1899, doi. 10.1002/jcc.27367
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- Article
Deep reinforcement learning in chemistry: A review.
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- Journal of Computational Chemistry, 2024, v. 45, n. 22, p. 1886, doi. 10.1002/jcc.27354
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 22, p. 1881, doi. 10.1002/jcc.27155
- Publication type:
- Article