Cover Image, Volume 41, Issue 15.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 15, p. C4, doi. 10.1002/jcc.25931
- Publication type:
- Article
Works matching IS 01928651 AND DT 2020 AND VI 41 AND IP 15
Results: 10
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Analytical calculation of the solvent‐accessible surface area and its nuclear gradients by stereographic projection: A general approach for molecules, polymers, nanotubes, helices, and surfaces.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 15, p. 1464, doi. 10.1002/jcc.26191
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- Publication type:
- Article
3
Fragmentation at sp<sup>2</sup> carbon atoms in fragment molecular orbital method.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 15, p. 1416, doi. 10.1002/jcc.26190
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- Publication type:
- Article
4
Stability, electronic, and optical properties of two‐dimensional phosphoborane.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 15, p. 1456, doi. 10.1002/jcc.26189
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- Publication type:
- Article
5
Performance of TDDFT Vertical Excitation Energies of Core‐Substituted Naphthalene Diimides.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 15, p. 1448, doi. 10.1002/jcc.26188
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- Publication type:
- Article
6
Prediction of protein–protein complexes using replica exchange with repulsive scaling.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 15, p. 1436, doi. 10.1002/jcc.26187
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- Publication type:
- Article
7
Periodic trends and complexation chemistry of tetravalent actinide ions with a potential actinide decorporation agent 5‐LIO(Me‐3,2‐HOPO): A relativistic density functional theory exploration.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 15, p. 1427, doi. 10.1002/jcc.26186
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- Publication type:
- Article
8
Resolving a puzzling anomaly in the spin‐coupled generalized valence bond description of benzene.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 15, p. 1421, doi. 10.1002/jcc.26185
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- Publication type:
- Article
9
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 15, p. 1411, doi. 10.1002/jcc.25932
- Publication type:
- Article
10
Cover Image, Volume 41, Issue 15.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 15, p. C1, doi. 10.1002/jcc.25931
- Publication type:
- Article