Works matching IS 01928651 AND DT 2021 AND VI 42 AND IP 14
Results: 8
Cover Image.
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- Journal of Computational Chemistry, 2021, v. 42, n. 14, p. 1, doi. 10.1002/jcc.26543
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Non long‐range corrected density functionals incorrectly describe the intensity of the CH stretching band in polycyclic aromatic hydrocarbons.
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- Journal of Computational Chemistry, 2021, v. 42, n. 14, p. 1018, doi. 10.1002/jcc.26520
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- Article
ClassicalGSG: Prediction of logP using classical molecular force fields and geometric scattering for graphs.
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- Journal of Computational Chemistry, 2021, v. 42, n. 14, p. 1006, doi. 10.1002/jcc.26519
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- Article
Comparison of many‐particle representations for selected‐CI I: A tree based approach.
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- Journal of Computational Chemistry, 2021, v. 42, n. 14, p. 982, doi. 10.1002/jcc.26518
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- Article
Assessing challenging intra‐ and inter‐molecular charge‐transfer excitations energies with double‐hybrid density functionals.
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- Journal of Computational Chemistry, 2021, v. 42, n. 14, p. 970, doi. 10.1002/jcc.26517
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- Article
Generalized–ensemble method study: A helix‐mimetic compound inhibits protein–protein interaction by long‐range and short‐range intermolecular interactions.
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- Journal of Computational Chemistry, 2021, v. 42, n. 14, p. 956, doi. 10.1002/jcc.26516
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- Article
LIMONADA: A database dedicated to the simulation of biological membranes.
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- Journal of Computational Chemistry, 2021, v. 42, n. 14, p. 1028, doi. 10.1002/jcc.26511
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 14, p. 951, doi. 10.1002/jcc.26278
- Publication type:
- Article