Works matching IS 01928651 AND DT 2019 AND VI 40 AND IP 16
Results: 8
Aluminum alkoxy‐catalyzed biomass conversion of glucose to 5‐hydroxymethylfurfural: Mechanistic study of the cooperative bifunctional catalysis.
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- Journal of Computational Chemistry, 2019, v. 40, n. 16, p. 1599, doi. 10.1002/jcc.25812
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- Article
Making and breaking of small water clusters: A combined quantum chemical and molecular dynamics approach.
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- Journal of Computational Chemistry, 2019, v. 40, n. 16, p. 1556, doi. 10.1002/jcc.25811
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- Article
DFT analysis of the linkage isomerism in penta(ammine)ruthenium(II/III) complexes of benzotriazole: Natural bond orbital method approach and a comprehensive energy decomposition analysis.
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- Journal of Computational Chemistry, 2019, v. 40, n. 16, p. 1593, doi. 10.1002/jcc.25810
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Extracting the mechanisms and kinetic models of complex reactions from atomistic simulation data.
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- Journal of Computational Chemistry, 2019, v. 40, n. 16, p. 1586, doi. 10.1002/jcc.25809
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Theoretical study on photophysical properties of a series of functional pyrimidine‐based organic light‐emitting diodes emitters presenting thermally activated delayed fluorescence.
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- Journal of Computational Chemistry, 2019, v. 40, n. 16, p. 1578, doi. 10.1002/jcc.25808
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- Article
U‐shaped caveolin‐1 conformations are tightly regulated by hydrogen bonds with lipids.
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- Journal of Computational Chemistry, 2019, v. 40, n. 16, p. 1570, doi. 10.1002/jcc.25807
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 16, p. 1551, doi. 10.1002/jcc.25486
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- Article
Cover Image, Volume 40, Issue 16.
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- Journal of Computational Chemistry, 2019, v. 40, n. 16, p. C1, doi. 10.1002/jcc.25483
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- Article