Publications
No. of Publications: 50
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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."
Structure and Stability of Molecular Crystals with Many Body Dispersion Inclusive Density Functional Tight Binding
Structure and Stability of Molecular Crystals with Many Body Dispersion Inclusive Density Functional Tight Binding
Majid Mortazavi, Jan Gerit Brandenburg, Reinhard J. Maurer, Alexandre Tkatchenko, J. Phys. Chem. Lett. 9, 399-405 (2018)
"We show the ability of many-body-dispersion-inclusive tight-binding methodology to accurately predict the structure of polymorphic organic molecular crystals."
Charge-Population Based Dispersion Interactions for Molecules and Materials
Charge-Population Based Dispersion Interactions for Molecules and Materials
Martin Stöhr, Georg S. Michelitsch, John C. Tully, Karsten Reuter, Reinhard J. Maurer, J. Chem. Phys., 144, 151101 (2016)