Browsing Universitätsbibliographie by Author "Fink, Reinhold F."

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A Facile Method for the Synthesis of Binary Tungsten Iodides

Strobele, Markus; Castro, Cristina; Fink, Reinhold F.; Meyer, H. -Jurgen (2016)
A general ansatz for constructing quasi-diabatic states in electronically excited aggregated systems

Liu, Wenlan; Lunkenheimer, Bernd; Settels, Volker; Engels, Bernd; Fink, Reinhold F.; Koehn, Andreas (2015)
A Model Hamiltonian Tuned Toward High Level Ab Initio Calculations to Describe the Character of Excitonic States in Perylenebisimide Aggregates

Liu, Wenlan; Canola, Sofia; Koehn, Andreas; Engels, Bernd; Negri, Fabrizia; Fink, Reinhold F. (2018)
Accurate property prediction by second order perturbation theory: The REMP and OO-REMP hybrids

Behnle, Stefan; Richter, Robert; Voelkl, Luca; Idzko, Paul; Foerstner, Andre; Fink, Reinhold F.; Bozkaya, Uğur (2022)
Anisotropy of singlet exciton diffusion in organic semiconductor crystals from ab initio approaches

Stehr, V.; Engels, B.; Deibel, C.; Fink, R. F. (2014)
Auger electron spectroscopy of fulminic acid, HCNO: an experimental and theoretical study

Gerlach, Marius; Preitschopf, Tobias; Karaev, Emil; Quitian-Lara, Heidy M.; Mayer, Dennis; Bozek, John; Fischer, Ingo; Fink, Reinhold F. (2022)
Can Experimental Electron-Density Studies be Used as a Tool to Predict Biologically Relevant Properties of Low-Molecular Weight Enzyme Ligands?

Grabowsky, Simon; Jayatilaka, Dylan; Fink, Reinhold F.; Schirmeister, Tanja; Engels, Bernd (2013)
Charge carrier mobilities in organic semiconductor crystals based on the spectral overlap

Stehr, Vera; Fink, Reinhold F.; Deibel, Carsten; Engels, Bernd (2016)
Coincidence study of core-ionized adamantane: site-sensitivity within a carbon cage?

Ganguly, Smita; Gisselbrecht, Mathieu; Eng-Johnsson, Per; Feifel, Raimund; Hervieux, Paul-Antoine; Alfaytarouni, Zeinab; Fink, Reinhold F.; Diaz-Tendero, Sergio; Milosavljevic, Aleksandar R.; Rousseau, Patrick; Maclot, Sylvain (2022)
Comparison of different rate constant expressions for the prediction of charge and energy transport in oligoacenes

Stehr, V.; Fink, R. F.; Tafipolski, M.; Deibel, C.; Engels, B. (2016)
Comparison of the periodic slab approach with the finite cluster description of metal-organic interfaces at the example of PTCDA on Ag(110)

Banerjee, Jaita; Behnle, Stefan; Galbraith, Martin C. E.; Settels, Volker; Engels, Bernd; Tonner, Ralf; Fink, Reinhold F. (2018)
Electron and fluorescence spectra of a water molecule irradiated by an x-ray free-electron laser pulse

Schaefer, Julia M.; Inhester, Ludger; Son, Sang-Kil; Fink, Reinhold F.; Santra, Robin (2018)
From WCl6 to WCl2: Properties of Intermediate Fe-W-Cl Phases

Mos, Agnieszka; Castro, Cristina; Indris, Sylvio; Stroebele, Markus; Fink, Reinhold F.; Meyer, Hans-Juergen (2015)
Geometry relaxation-mediated localization and delocalization of excitons in organic semiconductors: A quantum chemical study

Deutsch, M.; Wirsing, S.; Kaiser, D.; Fink, R. F.; Tegeder, P.; Engels, B. (2020)
Heptacene: Characterization in Solution, in the Solid State, and in Films

Einholz, Ralf; Fang, Treliant; Berger, Robert; Griininger, Peter; Fruh, Andreas; Chasse, Thomas; Fink, Reinhold F.; Bettinger, Holger F. (2017)
Isomerization and Fragmentation Pathways of 1,2-Azaborine

Edel, Klara; Fink, Reinhold F.; Bettinger, Holger F. (2016)
Molecular Origin of the Charge Carrier Mobility in Small Molecule Organic Semiconductors

Friederich, Pascal; Meded, Velimir; Poschlad, Angela; Neumann, Tobias; Rodin, Vadim; Stehr, Vera; Symalla, Franz; Danilov, Denis; Fink, Reinhold F.; Kondov, Ivan; von Wrochem, Florian; Wenzel, Wolfgang; Lüdemann, Gesa (2016)
Normal and resonant Auger spectroscopy of isocyanic acid, HNCO

Holzmeier, F.; Wolf, T. J. A.; Gienger, C.; Wagner, I; Bozek, J.; Nandi, S.; Nicolas, C.; Fischer, I; Guehr, M.; Fink, R. F. (2018)
OO-REMP: Approaching Chemical Accuracy with Second-Order Perturbation Theory

Behnle, Stefan; Fink, Reinhold F. (2021)
Rationalizing Aggregate Structures with Orbital Contributions to the Exchange-Repulsion Energy

Henrichsmeyer, Johannes; Thelen, Michael; Broeckel, Marc; Fadel, Mariam; Behnle, Stefan; Sekkal-Rahal, Majda; Fink, Reinhold F. (2023)

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