Works matching IS 01928651 AND DT 2022 AND VI 43 AND IP 1
Results: 7
Effects of mussel‐inspired co‐deposition of 2‐hydroxymethyl methacrylate and poly (2‐methoxyethyl acrylate) on the hydrophilicity and binding tendency of common hemodialysis membranes: Molecular dynamics simulations and molecular docking studies
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- Journal of Computational Chemistry, 2022, v. 43, n. 1, p. 57, doi. 10.1002/jcc.26773
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- Article
Estimating reaction parameters in mechanism‐enabled population balance models of nanoparticle size distributions: A Bayesian inverse problem approach.
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- Journal of Computational Chemistry, 2022, v. 43, n. 1, p. 43, doi. 10.1002/jcc.26770
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- Article
Analysis in silico of chemical reactivity employing the local hyper‐softness in some classic aromatic compounds, boron aromatic clusters and all‐metal aromatic clusters.
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- Journal of Computational Chemistry, 2022, v. 43, n. 1, p. 29, doi. 10.1002/jcc.26769
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MP‐NeRF: A massively parallel method for accelerating protein structure reconstruction from internal coordinates.
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- Journal of Computational Chemistry, 2022, v. 43, n. 1, p. 74, doi. 10.1002/jcc.26768
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- Article
Benchmark ab initio proton affinity and gas‐phase basicity of α‐alanine based on coupled‐cluster theory and statistical mechanics.
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- Journal of Computational Chemistry, 2022, v. 43, n. 1, p. 19, doi. 10.1002/jcc.26767
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- Article
Advances in vibrational configuration interaction theory ‐ part 2: Fast screening of the correlation space.
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- Journal of Computational Chemistry, 2022, v. 43, n. 1, p. 6, doi. 10.1002/jcc.26764
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2022, v. 43, n. 1, p. 1, doi. 10.1002/jcc.26563
- Publication type:
- Article