Works matching IS 01928651 AND DT 2020 AND VI 41 AND IP 25
Results: 8
Interatomic exchange‐correlation interaction energy from a measure of quantum theory of atoms in molecules topological bonding: A diatomic case.
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- Journal of Computational Chemistry, 2020, v. 41, n. 25, p. 2213, doi. 10.1002/jcc.26390
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- Article
Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers.
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- Journal of Computational Chemistry, 2020, v. 41, n. 25, p. 2203, doi. 10.1002/jcc.26389
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- Article
A theoretical study on the alkali metal carboxylate‐promoted L‐Lactide polymerization.
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- Journal of Computational Chemistry, 2020, v. 41, n. 25, p. 2197, doi. 10.1002/jcc.26386
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- Article
Free‐energy calculations of the host–guest association in grafted supramolecular assemblies.
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- Journal of Computational Chemistry, 2020, v. 41, n. 25, p. 2189, doi. 10.1002/jcc.26382
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- Article
The balance between side‐chain and backbone‐driven association in folding of the α‐helical influenza A transmembrane peptide.
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- Journal of Computational Chemistry, 2020, v. 41, n. 25, p. 2177, doi. 10.1002/jcc.26381
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- Article
Cu<sup>2+</sup> in liquid ammonia—The impact of solvent flexibility and electron correlation in ab initio quantum mechanical charge field molecular dynamics.
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- Journal of Computational Chemistry, 2020, v. 41, n. 25, p. 2168, doi. 10.1002/jcc.26379
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 25, p. 2163, doi. 10.1002/jcc.25972
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- Article
Cover Image.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 25, p. C1, doi. 10.1002/jcc.25971
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- Article