Molecular adsorption on coinage metal subnanoclusters: A DFT+D3 investigation.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 10, p. 1040, doi. 10.1002/jcc.27063
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2023 AND VI 44 AND IP 10
Results: 7
1
2
Interaction energy of Cl<sub>2</sub> and Br<sub>2</sub> with H<sub>2</sub>O: Exchange, dispersion and density the crucial ingredients.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 10, p. 1073, doi. 10.1002/jcc.27066
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- Publication type:
- Article
3
The effect of solvent on determining highest occupied molecular orbital energies of semiconducting organic molecules: Insight from a combined computational approach.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 10, p. 1064, doi. 10.1002/jcc.27065
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- Publication type:
- Article
4
On the atomistic origin of the polymorphism and the dielectric physical properties of beryllium oxide.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 10, p. 1052, doi. 10.1002/jcc.27064
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- Publication type:
- Article
5
Realization of the structural fluctuation of biomolecules in solution: Generalized Langevin mode analysis.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 10, p. 1031, doi. 10.1002/jcc.27062
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- Publication type:
- Article
6
The design of compounds with desirable properties – The anti‐HIV case study.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 10, p. 1016, doi. 10.1002/jcc.27061
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- Publication type:
- Article
7
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2023, v. 44, n. 10, p. 1011, doi. 10.1002/jcc.26904
- Publication type:
- Article