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Solubility of aminotriethylene glycol functionalized single wall carbon nanotubes: A density functional based tight binding molecular dynamics study.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 8, p. 952, doi. 10.1002/jcc.25776
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- Article
First Principles Calculations Toward Understanding SERS of 2,2′‐Bipyridyl Adsorbed on Au, Ag, and Au–Ag Nanoalloy.
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- Journal of Computational Chemistry, 2019, v. 40, n. 8, p. 925, doi. 10.1002/jcc.25603
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- Article
The role of the halogen bond in iodothyronine deiodinase: Dependence on chalcogen substitution in naphthyl‐based mimetics.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 8, p. 944, doi. 10.1002/jcc.25775
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- Article
When does a hydrogen bond become a van der Waals interaction? a topological answer.
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- Journal of Computational Chemistry, 2019, v. 40, n. 8, p. 937, doi. 10.1002/jcc.25774
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- Article
Isothiirane: A Molecular Structure Dilemma Resolved.
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- Journal of Computational Chemistry, 2019, v. 40, n. 8, p. 916, doi. 10.1002/jcc.25758
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 8, p. 911, doi. 10.1002/jcc.25470
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- Article
Cover Image, Volume 40, Issue 8.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 8, p. C1, doi. 10.1002/jcc.25467
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- Article
Addressing an instability in unrestricted density functional theory direct dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 8, p. 933, doi. 10.1002/jcc.25604
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- Article