Works matching IS 01928651 AND DT 2024 AND VI 45 AND IP 19
Results: 8
Machine‐learning descriptor search on the density of states profile of bimetallic alloy systems and comparison with the d‐band center theory.
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- Journal of Computational Chemistry, 2024, v. 45, n. 19, p. 1682, doi. 10.1002/jcc.27360
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- Article
Dichroism of plasmonic chiral nanoalloys by rational design.
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- Journal of Computational Chemistry, 2024, v. 45, n. 19, p. 1657, doi. 10.1002/jcc.27359
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- Article
Synergistic regulation of chloride anion recognition using a triple‐functional sites receptor with two different cationic effectors.
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- Journal of Computational Chemistry, 2024, v. 45, n. 19, p. 1630, doi. 10.1002/jcc.27357
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- Article
Investigating the interplay between charge transfer and CO<sub>2</sub> insertion in the adsorption of a NiFe catalyst for CO<sub>2</sub> electroreduction on a graphite support through DFT computational approaches.
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- Journal of Computational Chemistry, 2024, v. 45, n. 19, p. 1690, doi. 10.1002/jcc.27355
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- Article
How do spin‐scaled double hybrids designed for excitation energies perform for noncovalent excited‐state interactions? An investigation on aromatic excimer models.
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- Journal of Computational Chemistry, 2024, v. 45, n. 19, p. 1667, doi. 10.1002/jcc.27351
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Active‐learning for global optimization of Ni‐Ceria nanoparticles: The case of Ce<sub>4−x</sub>Ni<sub>x</sub>O<sub>8−</sub><sub>x</sub> (x = 1, 2, 3).
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- Journal of Computational Chemistry, 2024, v. 45, n. 19, p. 1643, doi. 10.1002/jcc.27346
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Foreword to the special issue for Elfi Kraka.
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- Journal of Computational Chemistry, 2024, v. 45, n. 19, p. 1642, doi. 10.1002/jcc.27316
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2024, v. 45, n. 19, p. 1625, doi. 10.1002/jcc.27152
- Publication type:
- Article