Ab initio multireference calculation of electronic spectra of the osmium complexes, [Os(bpy)3]2+ and [Os(phen)3]2+.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 20, p. 1750, doi. 10.1002/jcc.27372
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2024 AND VI 45 AND IP 20
Results: 8
1
2
Theoretical study of PdNi and PdCu clusters embedded on graphene modified by monovacancy and nitrogen doping.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 20, p. 1744, doi. 10.1002/jcc.27371
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- Article
3
Accurate prediction of dynamic protein–ligand binding using P‐score ranking.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 20, p. 1762, doi. 10.1002/jcc.27370
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- Publication type:
- Article
4
Modifying electronic and optical properties of violet phosphorus through variable fluorine coverage.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 20, p. 1737, doi. 10.1002/jcc.27369
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- Publication type:
- Article
5
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 20, p. 1716, doi. 10.1002/jcc.27363
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- Publication type:
- Article
6
Quantum mechanical study of transition metal hydrides: Comparison of determined molecular properties with experimental data.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 20, p. 1727, doi. 10.1002/jcc.27361
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- Publication type:
- Article
7
Discovering trends in the Lewis acidity of beryllium and magnesium hydrides and fluorides with increasing clusters size.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 20, p. 1702, doi. 10.1002/jcc.27356
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- Publication type:
- Article
8
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 20, p. 1697, doi. 10.1002/jcc.27153
- Publication type:
- Article