List of works - Thomas Körzdörfer

A highly K(+)-selective phenylaza-[18]crown-6-lariat-ether-based fluoroionophore and its application in the sensing of K+ ions with an optical sensor film and in cells

scientific article published on 17 September 2013

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals.

scientific article published on 5 January 2016

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods.

scientific article published on 5 January 2016

Accurate Valence Ionization Energies from Kohn-Sham Eigenvalues with the Help of Potential Adjustors.

scientific article published on 7 August 2017

Accurate description of torsion potentials in conjugated polymers using density functionals with reduced self-interaction error

scientific article published on 7 February 2014

Assessment of the performance of tuned range-separated hybrid density functionals in predicting accurate quasiparticle spectra

scientific article published on 8 November 2012

Benchmark ofGWmethods for azabenzenes

scholarly article in Physical Review B, vol. 86 no. 24, December 2012

Calculating Optical Absorption Spectra of Thin Polycrystalline Organic Films: Structural Disorder and Site-Dependent van der Waals Interaction ⬇️

scientific article published on 24 February 2015

Collectively induced quantum-confined Stark effect in monolayers of molecules consisting of polar repeating units

scientific article published on 27 October 2011

Computational screening of methylammonium based halide perovskites with bandgaps suitable for perovskite-perovskite tandem solar cells

scientific article published on 01 December 2018

Cover Feature: The 1,6,7,12-Tetraazaperylene Bridging Ligand as an Electron Reservoir and Its Disulfonato Derivative as Redox Mediator in an Enzyme-Electrode Process (Chem. Eur. J. 62/2017)

Electrical response of molecular systems: the power of self-interaction corrected kohn-sham theory

scientific article published on 3 April 2008

How Bond Length Alternation and Thermal Disorder Affect the Optical Excitation Energies of π-Conjugated Chains: A Combined Density Functional Theory and Molecular Dynamics Study

scientific article published on 21 March 2016

Kohn-Sham Self-Interaction Correction in Real Time ⬇️

scientific article published on April 2, 2012

Long-Range Corrected DFT Meets GW: Vibrationally Resolved Photoelectron Spectra from First Principles

scientific article published on 01 November 2015

Long-range corrected hybrid functionals for π-conjugated systems: dependence of the range-separation parameter on conjugation length.

scientific article published in November 2011

On the relation between orbital-localization and self-interaction errors in the density functional theory treatment of organic semiconductors ⬇️

scientific article published on 01 March 2011

On the relationship between bond-length alternation and many-electron self-interaction error

scientific article published on 01 September 2012

Orbital density reconstruction for molecules

scientific article published on 04 November 2011

Organic electronic materials: recent advances in the DFT description of the ground and excited states using tuned range-separated hybrid functionals

scientific article published on 30 April 2014

Sequence dependence of electron-induced DNA strand breakage revealed by DNA nanoarrays

scientific article

Size Effects in the Interface Level Alignment of Dye-Sensitized TiO2 Clusters.

scientific article published on 25 June 2014

Size-dependence of non-empirically tuned DFT starting points for G0W0 applied to π-conjugated molecular chains.

scientific article published on September 2017

Synthesis of donor-substituted meso-phenyl and meso-ethynylphenyl BODIPYs with broad absorption

The 1,6,7,12-Tetraazaperylene Bridging Ligand as an Electron Reservoir and Its Disulfonato Derivative as Redox Mediator in an Enzyme-Electrode Process.

scientific article published on 4 September 2017

Vibrationally resolved photoelectron spectra of lower diamondoids: A time-dependent approach.

scientific article published in January 2018

List of works by Thomas Körzdörfer