Works matching IS 01928651 AND DT 2021 AND VI 42 AND IP 27
Results: 8
Cover Image.
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- Journal of Computational Chemistry, 2021, v. 42, n. 27, p. i, doi. 10.1002/jcc.26749
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Arene and functionalized arene based two dimensional organic–inorganic hybrid perovskites for photovoltaic applications.
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- Journal of Computational Chemistry, 2021, v. 42, n. 27, p. 1982, doi. 10.1002/jcc.26731
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- Article
Density functionals with full nonlocal exchange, nonlocal rung‐3.5 correlation, and D3 dispersion: Combined accuracy for general main‐group thermochemistry, kinetics, and noncovalent interactions.
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- Journal of Computational Chemistry, 2021, v. 42, n. 27, p. 1974, doi. 10.1002/jcc.26728
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Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO‐CCSD) theory.
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- Journal of Computational Chemistry, 2021, v. 42, n. 27, p. 1959, doi. 10.1002/jcc.26726
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- Article
Role of atomicity in the oxygen reduction reaction activity of platinum sub nanometer clusters: A global optimization study.
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- Journal of Computational Chemistry, 2021, v. 42, n. 27, p. 1944, doi. 10.1002/jcc.26725
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- Article
An improved Poisson‐Nernst‐Planck ion channel model and numerical studies on effects of boundary conditions, membrane charges, and bulk concentrations.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 27, p. 1929, doi. 10.1002/jcc.26723
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- Article
Insights into the electronic structure and mechanism of norcarane hydroxylation by OxoMn(V) porphyrin complexes: A density functional theory study.
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- Journal of Computational Chemistry, 2021, v. 42, n. 27, p. 1920, doi. 10.1002/jcc.26715
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 27, p. 1915, doi. 10.1002/jcc.26329
- Publication type:
- Article