Works matching IS 01928651 AND DT 2020 AND VI 41 AND IP 12
Results: 11
Cover Image, Volume 41, Issue 12.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 12, p. C2, doi. 10.1002/jcc.25919
- Publication type:
- Article
Fractional occupation numbers and self‐interaction correction‐scaling methods with the Fermi‐Löwdin orbital self‐interaction correction approach.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 12, p. 1200, doi. 10.1002/jcc.26168
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- Publication type:
- Article
Distributed and multicore QuBiLS‐MIDAS software v2.0: Computing chiral, fuzzy, weighted and truncated geometrical molecular descriptors based on tensor algebra.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 12, p. 1209, doi. 10.1002/jcc.26167
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- Publication type:
- Article
Lone pairs mapping by Laplacian of <sup>3</sup>He NMR chemical shift.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 12, p. 1194, doi. 10.1002/jcc.26166
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- Publication type:
- Article
Disentanglement of orthogonal hydrogen and halogen bonds via natural orbital for chemical valence: A charge displacement analysis.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 12, p. 1185, doi. 10.1002/jcc.26165
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- Publication type:
- Article
Importance of model size in quantum mechanical studies of DNA intercalation.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 12, p. 1175, doi. 10.1002/jcc.26164
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- Publication type:
- Article
Extended Koopmans' theorem at the second‐order perturbation theory.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 12, p. 1165, doi. 10.1002/jcc.26163
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- Publication type:
- Article
Following the evolution of excited states along photochemical reaction pathways.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 12, p. 1156, doi. 10.1002/jcc.26162
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- Publication type:
- Article
Systematic microsolvation approach with a cluster‐continuum scheme and conformational sampling.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 12, p. 1144, doi. 10.1002/jcc.26161
- By:
- Publication type:
- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 12, p. 1139, doi. 10.1002/jcc.25920
- Publication type:
- Article
Cover Image, Volume 41, Issue 12.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 12, p. C1, doi. 10.1002/jcc.25919
- Publication type:
- Article