Works matching IS 01928651 AND DT 2019 AND VI 40 AND IP 23
Results: 8
Hydrogen bond donors and acceptors are generally depolarized in α‐helices as revealed by a molecular tailoring approach.
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- Journal of Computational Chemistry, 2019, v. 40, n. 23, p. 2043, doi. 10.1002/jcc.25859
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- Article
KoBra: A rate constant method for prediction of the diffusion of sorbates inside nanoporous materials at different loadings.
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- Journal of Computational Chemistry, 2019, v. 40, n. 23, p. 2053, doi. 10.1002/jcc.25857
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- Article
The helix‐inversion mechanism in double‐stranded helical oligomers bridged by rotary cyclic boronate esters.
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- Journal of Computational Chemistry, 2019, v. 40, n. 23, p. 2036, doi. 10.1002/jcc.25856
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- Article
Efficient optimization of natural resonance theory weightings and bond orders by gram‐based convex programming.
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- Journal of Computational Chemistry, 2019, v. 40, n. 23, p. 2028, doi. 10.1002/jcc.25855
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- Article
Incremental solver for orbital‐free density functional theory.
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- Journal of Computational Chemistry, 2019, v. 40, n. 23, p. 2013, doi. 10.1002/jcc.25854
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- Article
Development of a new parameter optimization scheme for a reactive force field based on a machine learning approach.
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- Journal of Computational Chemistry, 2019, v. 40, n. 23, p. 2000, doi. 10.1002/jcc.25841
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 23, p. 1995, doi. 10.1002/jcc.25438
- Publication type:
- Article
Cover Image, Volume 40, Issue 23.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 23, p. C1, doi. 10.1002/jcc.25464
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- Article