[{"user_id":"16199","volume":137,"_id":"62927","publisher":"AIP Publishing","status":"public","citation":{"mla":"Denis, Jean-Christophe, et al. “Quantitative Description of Interactions between Linear Organic Chromophores.” <i>The Journal of Chemical Physics</i>, vol. 137, no. 22, 224102, AIP Publishing, 2012, doi:<a href=\"https://doi.org/10.1063/1.4768244\">10.1063/1.4768244</a>.","ama":"Denis J-C, Schumacher S, Galbraith I. Quantitative description of interactions between linear organic chromophores. <i>The Journal of Chemical Physics</i>. 2012;137(22). doi:<a href=\"https://doi.org/10.1063/1.4768244\">10.1063/1.4768244</a>","bibtex":"@article{Denis_Schumacher_Galbraith_2012, title={Quantitative description of interactions between linear organic chromophores}, volume={137}, DOI={<a href=\"https://doi.org/10.1063/1.4768244\">10.1063/1.4768244</a>}, number={22224102}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Denis, Jean-Christophe and Schumacher, Stefan and Galbraith, Ian}, year={2012} }","apa":"Denis, J.-C., Schumacher, S., &#38; Galbraith, I. (2012). Quantitative description of interactions between linear organic chromophores. <i>The Journal of Chemical Physics</i>, <i>137</i>(22), Article 224102. <a href=\"https://doi.org/10.1063/1.4768244\">https://doi.org/10.1063/1.4768244</a>","ieee":"J.-C. Denis, S. Schumacher, and I. Galbraith, “Quantitative description of interactions between linear organic chromophores,” <i>The Journal of Chemical Physics</i>, vol. 137, no. 22, Art. no. 224102, 2012, doi: <a href=\"https://doi.org/10.1063/1.4768244\">10.1063/1.4768244</a>.","short":"J.-C. Denis, S. Schumacher, I. Galbraith, The Journal of Chemical Physics 137 (2012).","chicago":"Denis, Jean-Christophe, Stefan Schumacher, and Ian Galbraith. “Quantitative Description of Interactions between Linear Organic Chromophores.” <i>The Journal of Chemical Physics</i> 137, no. 22 (2012). <a href=\"https://doi.org/10.1063/1.4768244\">https://doi.org/10.1063/1.4768244</a>."},"doi":"10.1063/1.4768244","article_number":"224102","language":[{"iso":"eng"}],"date_updated":"2025-12-05T14:59:12Z","publication_status":"published","intvolume":"       137","year":"2012","title":"Quantitative description of interactions between linear organic chromophores","author":[{"full_name":"Denis, Jean-Christophe","last_name":"Denis","first_name":"Jean-Christophe"},{"full_name":"Schumacher, Stefan","orcid":"0000-0003-4042-4951","first_name":"Stefan","last_name":"Schumacher","id":"27271"},{"full_name":"Galbraith, Ian","last_name":"Galbraith","first_name":"Ian"}],"publication_identifier":{"issn":["0021-9606","1089-7690"]},"type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"}],"date_created":"2025-12-05T14:58:30Z","abstract":[{"lang":"eng","text":"<jats:p>To model intermolecular excitation transfer between organic chromophores in the framework of Förster theory, the interaction matrix element is needed for all relative orientations and separations of chromophores. Simulations of extended multi-chromophoric systems thus require a fast but reliable approximation scheme to calculate these dipole interactions. By means of a comparative study of the dipole approximation with quantum chemistry, we demonstrate that the usual line-dipole theory, while suitable for short molecules, breaks down for longer molecules with inter-molecular separations similar to or smaller than the length of the interacting chromophores; a limit that is typically found in conjugated polymer thin films. As a remedy, we propose an improved way of distributing the sub-dipole moments within a line which provides results in very good agreement with the quantum chemistry, and is still simple enough to be used in large scale simulations.</jats:p>"}],"issue":"22","publication":"The Journal of Chemical Physics"},{"date_created":"2023-02-10T14:44:49Z","keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"type":"journal_article","department":[{"_id":"314"}],"publication":"The Journal of Chemical Physics","issue":"15","article_number":"154908","language":[{"iso":"eng"}],"doi":"10.1063/1.2787008","year":"2007","title":"Probing the extent of the Sr2+ ion condensation to anionic polyacrylate coils: A quantitative anomalous small-angle x-ray scattering study","author":[{"full_name":"Goerigk, G.","first_name":"G.","last_name":"Goerigk"},{"last_name":"Huber","first_name":"Klaus","full_name":"Huber, Klaus","id":"237"},{"full_name":"Schweins, R.","first_name":"R.","last_name":"Schweins"}],"publication_identifier":{"issn":["0021-9606","1089-7690"]},"publication_status":"published","date_updated":"2023-02-10T14:45:13Z","intvolume":"       127","citation":{"ama":"Goerigk G, Huber K, Schweins R. Probing the extent of the Sr2+ ion condensation to anionic polyacrylate coils: A quantitative anomalous small-angle x-ray scattering study. <i>The Journal of Chemical Physics</i>. 2007;127(15). doi:<a href=\"https://doi.org/10.1063/1.2787008\">10.1063/1.2787008</a>","bibtex":"@article{Goerigk_Huber_Schweins_2007, title={Probing the extent of the Sr2+ ion condensation to anionic polyacrylate coils: A quantitative anomalous small-angle x-ray scattering study}, volume={127}, DOI={<a href=\"https://doi.org/10.1063/1.2787008\">10.1063/1.2787008</a>}, number={15154908}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Goerigk, G. and Huber, Klaus and Schweins, R.}, year={2007} }","mla":"Goerigk, G., et al. “Probing the Extent of the Sr2+ Ion Condensation to Anionic Polyacrylate Coils: A Quantitative Anomalous Small-Angle x-Ray Scattering Study.” <i>The Journal of Chemical Physics</i>, vol. 127, no. 15, 154908, AIP Publishing, 2007, doi:<a href=\"https://doi.org/10.1063/1.2787008\">10.1063/1.2787008</a>.","chicago":"Goerigk, G., Klaus Huber, and R. Schweins. “Probing the Extent of the Sr2+ Ion Condensation to Anionic Polyacrylate Coils: A Quantitative Anomalous Small-Angle x-Ray Scattering Study.” <i>The Journal of Chemical Physics</i> 127, no. 15 (2007). <a href=\"https://doi.org/10.1063/1.2787008\">https://doi.org/10.1063/1.2787008</a>.","short":"G. Goerigk, K. Huber, R. Schweins, The Journal of Chemical Physics 127 (2007).","apa":"Goerigk, G., Huber, K., &#38; Schweins, R. (2007). Probing the extent of the Sr2+ ion condensation to anionic polyacrylate coils: A quantitative anomalous small-angle x-ray scattering study. <i>The Journal of Chemical Physics</i>, <i>127</i>(15), Article 154908. <a href=\"https://doi.org/10.1063/1.2787008\">https://doi.org/10.1063/1.2787008</a>","ieee":"G. Goerigk, K. Huber, and R. Schweins, “Probing the extent of the Sr2+ ion condensation to anionic polyacrylate coils: A quantitative anomalous small-angle x-ray scattering study,” <i>The Journal of Chemical Physics</i>, vol. 127, no. 15, Art. no. 154908, 2007, doi: <a href=\"https://doi.org/10.1063/1.2787008\">10.1063/1.2787008</a>."},"_id":"42000","publisher":"AIP Publishing","user_id":"237","volume":127,"status":"public"},{"title":"Small-angle neutron scattering of dilute polystyrene chains at the protein limit of a colloid-polymer mixture","year":"2005","author":[{"last_name":"Kramer","first_name":"Thomas","full_name":"Kramer, Thomas"},{"full_name":"Schweins, Ralf","last_name":"Schweins","first_name":"Ralf"},{"first_name":"Klaus","last_name":"Huber","full_name":"Huber, Klaus","id":"237"}],"publication_identifier":{"issn":["0021-9606","1089-7690"]},"date_updated":"2023-02-10T15:22:07Z","publication_status":"published","intvolume":"       123","article_number":"014903","language":[{"iso":"eng"}],"doi":"10.1063/1.1946751","issue":"1","publication":"The Journal of Chemical Physics","date_created":"2023-02-10T15:21:32Z","keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"type":"journal_article","department":[{"_id":"314"}],"status":"public","_id":"42015","publisher":"AIP Publishing","user_id":"237","volume":123,"citation":{"short":"T. Kramer, R. Schweins, K. Huber, The Journal of Chemical Physics 123 (2005).","chicago":"Kramer, Thomas, Ralf Schweins, and Klaus Huber. “Small-Angle Neutron Scattering of Dilute Polystyrene Chains at the Protein Limit of a Colloid-Polymer Mixture.” <i>The Journal of Chemical Physics</i> 123, no. 1 (2005). <a href=\"https://doi.org/10.1063/1.1946751\">https://doi.org/10.1063/1.1946751</a>.","apa":"Kramer, T., Schweins, R., &#38; Huber, K. (2005). Small-angle neutron scattering of dilute polystyrene chains at the protein limit of a colloid-polymer mixture. <i>The Journal of Chemical Physics</i>, <i>123</i>(1), Article 014903. <a href=\"https://doi.org/10.1063/1.1946751\">https://doi.org/10.1063/1.1946751</a>","ieee":"T. Kramer, R. Schweins, and K. Huber, “Small-angle neutron scattering of dilute polystyrene chains at the protein limit of a colloid-polymer mixture,” <i>The Journal of Chemical Physics</i>, vol. 123, no. 1, Art. no. 014903, 2005, doi: <a href=\"https://doi.org/10.1063/1.1946751\">10.1063/1.1946751</a>.","ama":"Kramer T, Schweins R, Huber K. Small-angle neutron scattering of dilute polystyrene chains at the protein limit of a colloid-polymer mixture. <i>The Journal of Chemical Physics</i>. 2005;123(1). doi:<a href=\"https://doi.org/10.1063/1.1946751\">10.1063/1.1946751</a>","bibtex":"@article{Kramer_Schweins_Huber_2005, title={Small-angle neutron scattering of dilute polystyrene chains at the protein limit of a colloid-polymer mixture}, volume={123}, DOI={<a href=\"https://doi.org/10.1063/1.1946751\">10.1063/1.1946751</a>}, number={1014903}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kramer, Thomas and Schweins, Ralf and Huber, Klaus}, year={2005} }","mla":"Kramer, Thomas, et al. “Small-Angle Neutron Scattering of Dilute Polystyrene Chains at the Protein Limit of a Colloid-Polymer Mixture.” <i>The Journal of Chemical Physics</i>, vol. 123, no. 1, 014903, AIP Publishing, 2005, doi:<a href=\"https://doi.org/10.1063/1.1946751\">10.1063/1.1946751</a>."}},{"quality_controlled":"1","citation":{"apa":"Lukaschek, M., Kothe, G., Schmidt, C., Gomes, A. 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Gomes, and Antonino Polimeno. “Evaluation of the Viscoelastic Properties of a Nematic Dimer by Cone-and-Plate Rheo-Nuclear Magnetic Resonance Spectroscopy and Comparison with Leslie–Ericksen Theory.” <i>The Journal of Chemical Physics</i> 117, no. 9 (2002): 4550–56. <a href=\"https://doi.org/10.1063/1.1497161\">https://doi.org/10.1063/1.1497161</a>.","short":"M. Lukaschek, G. Kothe, C. Schmidt, A.E. Gomes, A. Polimeno, The Journal of Chemical Physics 117 (2002) 4550–4556.","mla":"Lukaschek, Michail, et al. “Evaluation of the Viscoelastic Properties of a Nematic Dimer by Cone-and-Plate Rheo-Nuclear Magnetic Resonance Spectroscopy and Comparison with Leslie–Ericksen Theory.” <i>The Journal of Chemical Physics</i>, vol. 117, no. 9, AIP Publishing, 2002, pp. 4550–56, doi:<a href=\"https://doi.org/10.1063/1.1497161\">10.1063/1.1497161</a>.","ama":"Lukaschek M, Kothe G, Schmidt C, Gomes AE, Polimeno A. Evaluation of the viscoelastic properties of a nematic dimer by cone-and-plate rheo-nuclear magnetic resonance spectroscopy and comparison with Leslie–Ericksen theory. <i>The Journal of Chemical Physics</i>. 2002;117(9):4550-4556. doi:<a href=\"https://doi.org/10.1063/1.1497161\">10.1063/1.1497161</a>","bibtex":"@article{Lukaschek_Kothe_Schmidt_Gomes_Polimeno_2002, title={Evaluation of the viscoelastic properties of a nematic dimer by cone-and-plate rheo-nuclear magnetic resonance spectroscopy and comparison with Leslie–Ericksen theory}, volume={117}, DOI={<a href=\"https://doi.org/10.1063/1.1497161\">10.1063/1.1497161</a>}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Lukaschek, Michail and Kothe, Gerd and Schmidt, Claudia and Gomes, Alexandre E. and Polimeno, Antonino}, year={2002}, pages={4550–4556} }"},"status":"public","user_id":"466","volume":117,"page":"4550-4556","publisher":"AIP Publishing","_id":"35362","extern":"1","issue":"9","publication":"The Journal of Chemical Physics","keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"type":"journal_article","department":[{"_id":"2"},{"_id":"315"}],"date_created":"2023-01-06T13:15:56Z","date_updated":"2023-01-07T11:21:13Z","publication_status":"published","intvolume":"       117","article_type":"original","year":"2002","title":"Evaluation of the viscoelastic properties of a nematic dimer by cone-and-plate rheo-nuclear magnetic resonance spectroscopy and comparison with Leslie–Ericksen theory","author":[{"full_name":"Lukaschek, Michail","last_name":"Lukaschek","first_name":"Michail"},{"last_name":"Kothe","first_name":"Gerd","full_name":"Kothe, Gerd"},{"id":"466","first_name":"Claudia","last_name":"Schmidt","orcid":"0000-0003-3179-9997","full_name":"Schmidt, Claudia"},{"last_name":"Gomes","first_name":"Alexandre E.","full_name":"Gomes, Alexandre E."},{"first_name":"Antonino","last_name":"Polimeno","full_name":"Polimeno, Antonino"}],"publication_identifier":{"issn":["0021-9606","1089-7690"]},"doi":"10.1063/1.1497161","language":[{"iso":"eng"}]},{"page":"7876-7880","publisher":"AIP Publishing","_id":"39783","user_id":"254","volume":108,"status":"public","citation":{"mla":"Huser, Thomas, et al. “Scanning Near-Field Optical Microscopy of Cholesteric Liquid Crystals.” <i>The Journal of Chemical Physics</i>, vol. 108, no. 18, AIP Publishing, 2002, pp. 7876–80, doi:<a href=\"https://doi.org/10.1063/1.476224\">10.1063/1.476224</a>.","bibtex":"@article{Huser_Lacoste_Heinzelmann_Kitzerow_2002, title={Scanning near-field optical microscopy of cholesteric liquid crystals}, volume={108}, DOI={<a href=\"https://doi.org/10.1063/1.476224\">10.1063/1.476224</a>}, number={18}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Huser, Thomas and Lacoste, Thilo and Heinzelmann, Harry and Kitzerow, Heinz-Siegfried}, year={2002}, pages={7876–7880} }","ama":"Huser T, Lacoste T, Heinzelmann H, Kitzerow H-S. Scanning near-field optical microscopy of cholesteric liquid crystals. <i>The Journal of Chemical Physics</i>. 2002;108(18):7876-7880. doi:<a href=\"https://doi.org/10.1063/1.476224\">10.1063/1.476224</a>","ieee":"T. Huser, T. Lacoste, H. Heinzelmann, and H.-S. Kitzerow, “Scanning near-field optical microscopy of cholesteric liquid crystals,” <i>The Journal of Chemical Physics</i>, vol. 108, no. 18, pp. 7876–7880, 2002, doi: <a href=\"https://doi.org/10.1063/1.476224\">10.1063/1.476224</a>.","apa":"Huser, T., Lacoste, T., Heinzelmann, H., &#38; Kitzerow, H.-S. (2002). Scanning near-field optical microscopy of cholesteric liquid crystals. <i>The Journal of Chemical Physics</i>, <i>108</i>(18), 7876–7880. <a href=\"https://doi.org/10.1063/1.476224\">https://doi.org/10.1063/1.476224</a>","short":"T. Huser, T. Lacoste, H. Heinzelmann, H.-S. Kitzerow, The Journal of Chemical Physics 108 (2002) 7876–7880.","chicago":"Huser, Thomas, Thilo Lacoste, Harry Heinzelmann, and Heinz-Siegfried Kitzerow. “Scanning Near-Field Optical Microscopy of Cholesteric Liquid Crystals.” <i>The Journal of Chemical Physics</i> 108, no. 18 (2002): 7876–80. <a href=\"https://doi.org/10.1063/1.476224\">https://doi.org/10.1063/1.476224</a>."},"language":[{"iso":"eng"}],"doi":"10.1063/1.476224","year":"2002","title":"Scanning near-field optical microscopy of cholesteric liquid crystals","author":[{"last_name":"Huser","first_name":"Thomas","full_name":"Huser, Thomas"},{"full_name":"Lacoste, Thilo","first_name":"Thilo","last_name":"Lacoste"},{"full_name":"Heinzelmann, Harry","first_name":"Harry","last_name":"Heinzelmann"},{"id":"254","full_name":"Kitzerow, Heinz-Siegfried","last_name":"Kitzerow","first_name":"Heinz-Siegfried"}],"publication_identifier":{"issn":["0021-9606","1089-7690"]},"date_updated":"2023-01-24T19:26:57Z","publication_status":"published","intvolume":"       108","date_created":"2023-01-24T19:26:42Z","type":"journal_article","keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"department":[{"_id":"313"}],"publication":"The Journal of Chemical Physics","issue":"18"},{"doi":"10.1063/1.478285","language":[{"iso":"eng"}],"article_type":"original","intvolume":"       110","publication_status":"published","date_updated":"2023-01-07T11:15:48Z","author":[{"first_name":"J.","last_name":"Winterhalter","full_name":"Winterhalter, J."},{"full_name":"Maier, D.","first_name":"D.","last_name":"Maier"},{"full_name":"Grabowski, D. A.","last_name":"Grabowski","first_name":"D. A."},{"last_name":"Honerkamp","first_name":"J.","full_name":"Honerkamp, J."},{"last_name":"Müller","first_name":"S.","full_name":"Müller, S."},{"id":"466","last_name":"Schmidt","orcid":"0000-0003-3179-9997","first_name":"Claudia","full_name":"Schmidt, Claudia"}],"publication_identifier":{"issn":["0021-9606","1089-7690"]},"year":"1999","title":"Determination of orientational distributions from 2H NMR data by a regularization method","department":[{"_id":"2"},{"_id":"315"}],"type":"journal_article","keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"date_created":"2023-01-06T13:18:12Z","extern":"1","issue":"8","publication":"The Journal of Chemical Physics","volume":110,"user_id":"466","_id":"35367","publisher":"AIP Publishing","page":"4035-4046","status":"public","quality_controlled":"1","citation":{"bibtex":"@article{Winterhalter_Maier_Grabowski_Honerkamp_Müller_Schmidt_1999, title={Determination of orientational distributions from 2H NMR data by a regularization method}, volume={110}, DOI={<a href=\"https://doi.org/10.1063/1.478285\">10.1063/1.478285</a>}, number={8}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Winterhalter, J. and Maier, D. and Grabowski, D. A. and Honerkamp, J. and Müller, S. and Schmidt, Claudia}, year={1999}, pages={4035–4046} }","ama":"Winterhalter J, Maier D, Grabowski DA, Honerkamp J, Müller S, Schmidt C. Determination of orientational distributions from 2H NMR data by a regularization method. <i>The Journal of Chemical Physics</i>. 1999;110(8):4035-4046. doi:<a href=\"https://doi.org/10.1063/1.478285\">10.1063/1.478285</a>","mla":"Winterhalter, J., et al. “Determination of Orientational Distributions from 2H NMR Data by a Regularization Method.” <i>The Journal of Chemical Physics</i>, vol. 110, no. 8, AIP Publishing, 1999, pp. 4035–46, doi:<a href=\"https://doi.org/10.1063/1.478285\">10.1063/1.478285</a>.","chicago":"Winterhalter, J., D. Maier, D. A. Grabowski, J. Honerkamp, S. Müller, and Claudia Schmidt. “Determination of Orientational Distributions from 2H NMR Data by a Regularization Method.” <i>The Journal of Chemical Physics</i> 110, no. 8 (1999): 4035–46. <a href=\"https://doi.org/10.1063/1.478285\">https://doi.org/10.1063/1.478285</a>.","short":"J. Winterhalter, D. Maier, D.A. Grabowski, J. Honerkamp, S. Müller, C. Schmidt, The Journal of Chemical Physics 110 (1999) 4035–4046.","ieee":"J. Winterhalter, D. Maier, D. A. Grabowski, J. Honerkamp, S. Müller, and C. Schmidt, “Determination of orientational distributions from 2H NMR data by a regularization method,” <i>The Journal of Chemical Physics</i>, vol. 110, no. 8, pp. 4035–4046, 1999, doi: <a href=\"https://doi.org/10.1063/1.478285\">10.1063/1.478285</a>.","apa":"Winterhalter, J., Maier, D., Grabowski, D. A., Honerkamp, J., Müller, S., &#38; Schmidt, C. (1999). Determination of orientational distributions from 2H NMR data by a regularization method. <i>The Journal of Chemical Physics</i>, <i>110</i>(8), 4035–4046. <a href=\"https://doi.org/10.1063/1.478285\">https://doi.org/10.1063/1.478285</a>"}}]