Publications of Erik R. McNellis
All genres
Journal Article (7)
2010
Journal Article
, , , Erik R. McNellis, , , Karsten Reuter and : Structure and excitonic coupling in self-assembled monolayers of azobenzene-functionalized alkanethiols.
Journal Article
McNellis, Erik R., , Jörg Meyer, , and Karsten Reuter: Azobenzene versus 3,3,5,5-tetra-tert-butyl-azobenzene (TBA) at Au(111): characterizing the role of spacer groups.
Journal Article
McNellis, Erik R., , Sebastian Hagen, , Jörg Meyer, , Martin Wolf, Karsten Reuter, and : Bulky spacer groups – A valid strategy to control the coupling of functional molecules to surfaces?
Journal Article
, Erik R. McNellis, , , , , Jörg Meyer, Martin Wolf, , and Karsten Reuter: Structure and energetics of azobenzene at Ag(111): Benchmarking semiempirical dispersion correction approaches.
2009
Journal Article
McNellis, Erik, Jörg Meyer, Abbas Dehghan Baghi and Karsten Reuter: Stabilizing a molecular switch at solid surfaces: A density functional theory study of azobenzene at Cu(111), Ag(111), and Au(111).
Journal Article
McNellis, Erik R., Jörg Meyer and Karsten Reuter: Azobenzene at coinage metal surfaces: Role of dispersive van der Waals interactions.
2008
Journal Article
, Erik McNellis, , , , , Karsten Reuter and : Azobenzene-functionalized alkanethiols in self-assembled monolayers on gold.
Thesis - PhD (1)
2010
Thesis - PhD
McNellis, Erik R.: First-principles modeling of molecular switches at surfaces.