Time‐dependent density functional theory study of the optical properties of tetrahedral aluminum nanoparticles.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 15, p. 1033, doi. 10.1002/jcc.26868
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 15
Results: 7
1
2
A theoretical investigation into gallic acid pyrolysis.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 15, p. 1023, doi. 10.1002/jcc.26865
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- Publication type:
- Article
3
Prediction of acid pK<sub>a</sub> values in the solvent acetone based on COSMO‐RS.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 15, p. 1011, doi. 10.1002/jcc.26864
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- Publication type:
- Article
4
The Pfizer Crystal Structure Database: An essential tool for structure‐based design at Pfizer.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 15, p. 1053, doi. 10.1002/jcc.26862
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- Publication type:
- Article
5
ZZS similarity tool: The online tool for similarity screening to identify chemicals of potential concern.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 15, p. 1042, doi. 10.1002/jcc.26859
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- Publication type:
- Article
6
Keto‐enol tautomerism from the electron delocalization perspective.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 15, p. 1000, doi. 10.1002/jcc.26858
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- Publication type:
- Article
7
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 15, p. 995, doi. 10.1002/jcc.26619
- Publication type:
- Article