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Publications

No. of Publications: 49

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Adhesion, forces and the stability of interfaces

Adhesion, forces and the stability of interfaces

Robin Guttmann, Johannes Hoja, Christoph Lechner, Reinhard J. Maurer, and Alexander F. Sax, Beilstein J. Org. Chem., 15, 106–129. (2019)

"Weak molecular interactions (WMI) are responsible for processes such as physisorption; they are essential for the structure and stability of interfaces, and for bulk properties of liquids and molecular crystals. For a long time, dispersion was largely ignored in chemistry, attractive intermolecular interactions were nearly exclusively attributed to electrostatic interactions. We discuss the importance of dispersion interactions for the stabilization in systems that are traditionally explained in terms of the “special interactions” mentioned above."

https://www.beilstein-journals.org/s/eDT9bbVnb5


Solvation of carbon nanotubes by aniline calculated with density functional tight binding

Solvation of carbon nanotubes by aniline calculated with density functional tight binding

Reinhard J. Maurer, Alexander F. Sax, Phys. Chem. Chem. Phys. 12, 9893-9899 (2010)

A study of carbon nanotube solubility in aniline using DFTB shows the reason for poor nanotube solubility.

Thu 12 Oct 2017, 19:31 | Tags: Carbon Nanotubes, Density Functional Tight-Binding