Communication: orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals
Sears, John S, Koerzdoerfer, Thomas, Zhang, Cai-Rong, Brédas, Jean-Luc
Published in The Journal of chemical physics (21.10.2011)
Published in The Journal of chemical physics (21.10.2011)
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Long-range corrected hybrid functionals for π-conjugated systems: dependence of the range-separation parameter on conjugation length
Körzdörfer, Thomas, Sears, John S, Sutton, Christopher, Brédas, Jean-Luc
Published in The Journal of chemical physics (28.11.2011)
Published in The Journal of chemical physics (28.11.2011)
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Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals
Gallandi, Lukas, Marom, Noa, Rinke, Patrick, Körzdörfer, Thomas
Published in Journal of chemical theory and computation (09.02.2016)
Published in Journal of chemical theory and computation (09.02.2016)
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Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods
Knight, Joseph W, Wang, Xiaopeng, Gallandi, Lukas, Dolgounitcheva, Olga, Ren, Xinguo, Ortiz, J. Vincent, Rinke, Patrick, Körzdörfer, Thomas, Marom, Noa
Published in Journal of chemical theory and computation (09.02.2016)
Published in Journal of chemical theory and computation (09.02.2016)
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Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)-Tuned Range-Separated Density Functional Approach
Sun, Haitao, Ryno, Sean, Zhong, Cheng, Ravva, Mahesh Kumar, Sun, Zhenrong, Körzdörfer, Thomas, Brédas, Jean-Luc
Published in Journal of chemical theory and computation (14.06.2016)
Published in Journal of chemical theory and computation (14.06.2016)
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Journal Article
Accurate Valence Ionization Energies from Kohn–Sham Eigenvalues with the Help of Potential Adjustors
Thierbach, Adrian, Neiss, Christian, Gallandi, Lukas, Marom, Noa, Körzdörfer, Thomas, Görling, Andreas
Published in Journal of chemical theory and computation (10.10.2017)
Published in Journal of chemical theory and computation (10.10.2017)
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Journal Article
Sequence dependence of electron-induced DNA strand breakage revealed by DNA nanoarrays
Keller, Adrian, Rackwitz, Jenny, Cauët, Emilie, Liévin, Jacques, Körzdörfer, Thomas, Rotaru, Alexandru, Gothelf, Kurt V, Besenbacher, Flemming, Bald, Ilko
Published in Scientific reports (09.12.2014)
Published in Scientific reports (09.12.2014)
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Calculating Optical Absorption Spectra of Thin Polycrystalline Organic Films: Structural Disorder and Site-Dependent van der Waals Interaction
Megow, Jörg, Körzdörfer, Thomas, Renger, Thomas, Sparenberg, Mino, Blumstengel, Sylke, Henneberger, Fritz, May, Volkhard
Published in Journal of physical chemistry. C (12.03.2015)
Published in Journal of physical chemistry. C (12.03.2015)
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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
Ast, Sandra, Schwarze, Thomas, Müller, Holger, Sukhanov, Aleksey, Michaelis, Stefanie, Wegener, Joachim, Wolfbeis, Otto S., Körzdörfer, Thomas, Dürkop, Axel, Holdt, Hans-Jürgen
Published in Chemistry : a European journal (25.10.2013)
Published in Chemistry : a European journal (25.10.2013)
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Alkylpyridinium Tetrahalidometallate Ionic Liquids and Ionic Liquid Crystals: Insights into the Origin of Their Phase Behavior
Abouserie, Ahed, Zehbe, Kerstin, Metzner, Philipp, Kelling, Alexandra, Günter, Christina, Schilde, Uwe, Strauch, Peter, Körzdörfer, Thomas, Taubert, Andreas
Published in European journal of inorganic chemistry (29.12.2017)
Published in European journal of inorganic chemistry (29.12.2017)
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Synthesis of donor-substituted meso-phenyl and meso-ethynylphenyl BODIPYs with broad absorption
Graef, Katja, Koerzdoerfer, Thomas, Kuemmel, Stephan, Thelakkat, Mukundan
Published in New journal of chemistry (01.01.2013)
Published in New journal of chemistry (01.01.2013)
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Toward a Robust Quantum-Chemical Description of Organic Mixed-Valence Systems
Sutton, Christopher, Körzdörfer, Thomas, Coropceanu, Veaceslav, Brédas, Jean-Luc
Published in Journal of physical chemistry. C (27.02.2014)
Published in Journal of physical chemistry. C (27.02.2014)
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Journal Article
Reply to “Comment on ‘Calculating Optical Absorption Spectra of Thin Polycrystalline Organic Films: Structural Disorder and Site-Dependent van der Waals Interaction’”
Megow, Jörg, Körzdörfer, Thomas, Renger, Thomas, Sparenberg, Mino, Blumstengel, Sylke, May, Volkhard
Published in Journal of physical chemistry. C (13.08.2015)
Published in Journal of physical chemistry. C (13.08.2015)
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Journal Article
Accurate description of torsion potentials in conjugated polymers using density functionals with reduced self-interaction error
Sutton, Christopher, Körzdörfer, Thomas, Gray, Matthew T, Brunsfeld, Max, Parrish, Robert M, Sherrill, C David, Sears, John S, Brédas, Jean-Luc
Published in The Journal of chemical physics (07.02.2014)
Published in The Journal of chemical physics (07.02.2014)
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