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Volker Settels

Showing results (1-10 of 18) with videos related to

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Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|December 10, 2020
Insights into the stabilization of photolabile UV-absorbers in sunscreensBernd Herzog, Jochen Giesinger, Volker Settels
Journal of Computational Chemistry|July 22, 2022
Automated input structure generation for single-ended reaction path optimizationsJulian Geiger, Volker Settels, Peter Deglmann, et al.
Journal of Computational Chemistry|April 20, 2012
Comparison of the electronic structure of different perylene-based dye-aggregatesVolker Settels, Wenlan Liu, Jens Pflaum, et al.
Journal of Computational Chemistry|April 1, 2016
Influence of a polarizable surrounding on the electronically excited states of aggregated perylene materialsDaniel Bellinger, Volker Settels, Wenlan Liu, et al.
The Journal of Chemical Physics|September 3, 2015
A general ansatz for constructing quasi-diabatic states in electronically excited aggregated systemsWenlan Liu, Bernd Lunkenheimer, Volker Settels, et al.
Journal of Computational Chemistry|April 13, 2011
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 aggregatesWenlan Liu, Volker Settels, Philipp H P Harbach, et al.
Chemical Communications (Cambridge, England)|February 1, 2007
A computational study of the methanolysis of palladium-acyl bondsSteven M A Donald, Stuart A Macgregor, Volker Settels, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 23, 2013
Similarities and differences in the optical response of perylene-based hetero-bichromophores and their monomeric unitsUlrike Selig, Patrick Nuernberger, Volker Dehm, et al.
Angewandte Chemie (International Ed. in English)|December 16, 2025
AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell ChemistryBhupalee Kalita, Roman Zubatyuk, Dylan M Anstine, et al.
Journal of Computational Chemistry|February 6, 2018
Comparison of the periodic slab approach with the finite cluster description of metal-organic interfaces at the example of PTCDA on Ag(110)Jaita Banerjee, Stefan Behnle, Martin C E Galbraith, et al.
Pageof 2

Showing results (1-10 of 18) with videos related to

Sort By:
Pageof 2
Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|December 10, 2020
Insights into the stabilization of photolabile UV-absorbers in sunscreensBernd Herzog, Jochen Giesinger, Volker Settels
Journal of Computational Chemistry|July 22, 2022
Automated input structure generation for single-ended reaction path optimizationsJulian Geiger, Volker Settels, Peter Deglmann, et al.
Journal of Computational Chemistry|April 20, 2012
Comparison of the electronic structure of different perylene-based dye-aggregatesVolker Settels, Wenlan Liu, Jens Pflaum, et al.
Journal of Computational Chemistry|April 1, 2016
Influence of a polarizable surrounding on the electronically excited states of aggregated perylene materialsDaniel Bellinger, Volker Settels, Wenlan Liu, et al.
The Journal of Chemical Physics|September 3, 2015
A general ansatz for constructing quasi-diabatic states in electronically excited aggregated systemsWenlan Liu, Bernd Lunkenheimer, Volker Settels, et al.
Journal of Computational Chemistry|April 13, 2011
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 aggregatesWenlan Liu, Volker Settels, Philipp H P Harbach, et al.
Chemical Communications (Cambridge, England)|February 1, 2007
A computational study of the methanolysis of palladium-acyl bondsSteven M A Donald, Stuart A Macgregor, Volker Settels, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 23, 2013
Similarities and differences in the optical response of perylene-based hetero-bichromophores and their monomeric unitsUlrike Selig, Patrick Nuernberger, Volker Dehm, et al.
Angewandte Chemie (International Ed. in English)|December 16, 2025
AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell ChemistryBhupalee Kalita, Roman Zubatyuk, Dylan M Anstine, et al.
Journal of Computational Chemistry|February 6, 2018
Comparison of the periodic slab approach with the finite cluster description of metal-organic interfaces at the example of PTCDA on Ag(110)Jaita Banerjee, Stefan Behnle, Martin C E Galbraith, et al.
Pageof 2