Factor analysis of error in oxidation potential calculation: A machine learning study.
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- Journal of Computational Chemistry, 2022, v. 43, n. 22, p. 1504, doi. 10.1002/jcc.26953
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 22
Results: 7
1
2
Permutationally invariant polynomial representation of polarizability tensor surfaces for linear regression analysis.
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- Journal of Computational Chemistry, 2022, v. 43, n. 22, p. 1495, doi. 10.1002/jcc.26952
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- Publication type:
- Article
3
Calculation of absolute Raman scattering cross‐sections using vibrational self‐consistent field/vibrational configuration interaction wave functions.
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- Journal of Computational Chemistry, 2022, v. 43, n. 22, p. 1484, doi. 10.1002/jcc.26951
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- Publication type:
- Article
4
Boron based intramolecular heterocyclic frustrated Lewis pairs as organocatalysts for CO<sub>2</sub> adsorption and activation.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 22, p. 1474, doi. 10.1002/jcc.26949
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- Article
5
Following the density evolution using real time density functional theory and density based indexes: Application to model push–pull molecules.
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- Journal of Computational Chemistry, 2022, v. 43, n. 22, p. 1464, doi. 10.1002/jcc.26932
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- Publication type:
- Article
6
Automated reaction mechanisms and kinetics with the nudged elastic band method‐based AMK_Mountain and its description of the preliminary alkaline hydrolysis of nitrocellulose monomer.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 22, p. 1513, doi. 10.1002/jcc.26891
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- Publication type:
- Article
7
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 22, p. 1459, doi. 10.1002/jcc.26647
- Publication type:
- Article