Mercurio, Giuseppe;Maurer, Reinhard J.;Hagen, Sebastian;Leyssner, Felix;Meyer, Jörg;Tegeder, Petra;Soubatch, Sergey;Reuter, Karsten;Tautz, F. Stefan
X-ray standing wave simulations based on Fourier vector analysis as a method to retrieve complex molecular adsorption geometries
Frontiers in Physics
2014

Goikoetxea, I.;Meyer, J.;Juaristi, J. I.;Alducin, M.;Reuter, K.
Role of Physisorption States in Molecular Scattering: A Semilocal Density-Functional Theory Study on ${\mathrm{O}}_2/\mathrm{Ag}(111)$
Phys. Rev. Lett.
2014
112
15

Zaum, Christopher;Meyer, Jörg;Reuter, Karsten;Morgenstern, Karina
Quantitative determination of a nano-object's atom density without atomic resolution
Physical Review B
2014
90
16

Grossmann, F.;Buchholz, M.;Pollak, E.;Nest, M.
Spin effects and the Pauli principle in semiclassical electron dynamics
Physical Review A
2014
89

Krčmář, Jindřich;Gelin, Maxim F;Egorova, Dassia;Domcke, Wolfgang
Signatures of conical intersections in two-dimensional electronic spectra
J. Phys. B: At. Mol. Opt. Phys.
2014
47
12
124019

Gelin, Maxim F.
Markovian master equation for a classical particle coupled with arbitrary strength to a harmonic bath
J. Chem. Phys.
2014
141
21
214109

Diller, Katharina;Klappenberger, Florian;Allegretti, Francesco;Papageorgiou, Anthoula C.;Fischer, Sybille;Duncan, David A.;Maurer, Reinhard J.;Lloyd, Julian A.;Oh, Seung Cheol;Reuter, Karsten;Barth, Johannes V.
Temperature-dependent templated growth of porphine thin films on the (111) facets of copper and silver
J. Chem. Phys.
2014
141
14
144703

Savoca, Marco;Langer, Judith;Harding, Dan J.;Palagin, Dennis;Reuter, Karsten;Dopfer, Otto;Fielicke, André
Vibrational spectra and structures of bare and Xe-tagged cationic SinOm+ clusters
J. Chem. Phys.
2014
141
10
104313

Picconi, David;Grebenshchikov, Sergy Yu.
Signatures of a conical intersection in photofragment distributions and absorption spectra: Photodissociation in the Hartley band of ozone
J. Chem. Phys.
2014
141
074311

Kubas, Adam;Hoffmann, Felix;Heck, Alexander;Oberhofer, Harald;Elstner, Marcus;Blumberger, Jochen
Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations
J. Chem. Phys.
2014
140
10
104105