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Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates.

W. Liu, V. Settels, P. Harbach, A. Dreuw, R. Fink, and B. Engels. J. Comput. Chem., 32 (9): 1971-1981 (2011)

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Volker Settels

Rosemarie Settels

Alexander Settels

Paul Settels

Volker

Other publications of authors with the same name

Ultrafast Exciton Self-Trapping upon Geometry Deformation in Perylene-Based Molecular AggregatesA. Schubert, V. Settels, W. Liu, F. Würthner, C. Meier, R. Fink, S. Schindlbeck, S. Lochbrunner, B. Engels, and V. Engel. The Journal of Physical Chemistry Letters, 4 (5): 792--796 (February 2013)Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates.W. Liu, V. Settels, P. Harbach, A. Dreuw, R. Fink, and B. Engels. J. Comput. Chem., 32 (9): 1971-1981 (2011)Comparison of the periodic slab approach with the finite cluster description of metal-organic interfaces at the example of PTCDA on Ag(110)J. Banerjee, S. Behnle, M. Galbraith, V. Settels, B. Engels, R. Tonner, and R. Fink. Journal of Computational Chemistry, 39 (14): 844--852 (February 2018)Analyzing Learned Molecular Representations for Property Prediction.K. Yang, K. Swanson, W. Jin, C. Coley, P. Eiden, H. Gao, A. Guzman-Perez, T. Hopper, B. Kelley, M. Mathea and 5 other author(s). J. Chem. Inf. Model., 59 (8): 3370-3388 (2019)Understanding Ground- and Excited-State Properties of Perylene Tetracarboxylic Acid Bisimide Crystals by Means of Quantum Chemical ComputationsH. Zhao, J. Pfister, V. Settels, M. Renz, M. Kaupp, V. Dehm, F. Würthner, R. Fink, and B. Engels. Journal of the American Chemical Society, 131 (43): 15660--15668 (November 2009)Störprozesse in organischen SolarzellenC. Walter, V. Krämer, V. Settels, and B. Engels. Chemie in unserer Zeit, 47 (3): 142--142 (June 2013)Comparison of the electronic structure of different perylene‐based dye‐aggregatesV. Settels, W. Liu, J. Pflaum, R. Fink, and B. Engels. Journal of Computational Chemistry, (2012)Structure–property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state{. Jiménez, M. Lin, C. Burschka, J. Becker, V. Settels, B. Engels, and F. Würthner. Chem. Sci., 5 (2): 608--619 (2014)Identification of Ultrafast Relaxation Processes As a Major Reason for Inefficient Exciton Diffusion in Perylene-Based Organic SemiconductorsV. Settels, A. Schubert, M. Tafipolski, W. Liu, V. Stehr, A. Topczak, J. Pflaum, C. Deibel, R. Fink, V. Engel and 1 other author(s). Journal of the American Chemical Society, 136 (26): 9327--9337 (June 2014)Are Learned Molecular Representations Ready For Prime Time?K. Yang, K. Swanson, W. Jin, C. Coley, P. Eiden, H. Gao, A. Guzman-Perez, T. Hopper, B. Kelley, M. Mathea and 5 other author(s). CoRR, (2019)

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Disambiguation of "Settels, Volker"