[{"department":[{"_id":"465"},{"_id":"866"}],"user_id":"7117","_id":"61772","language":[{"iso":"ger"}],"publication":"Islam in der deutschen und türkischen Literatur","type":"book_chapter","status":"public","editor":[{"full_name":"Hofmann, Michael","last_name":"Hofmann","first_name":"Michael"},{"full_name":"Klaus, von Stosch","last_name":"Klaus","first_name":"von Stosch"}],"author":[{"id":"7117","full_name":"Schulte Eickholt, Swen","last_name":"Schulte Eickholt","first_name":"Swen"}],"date_created":"2025-10-09T13:49:30Z","date_updated":"2025-10-09T13:49:41Z","publisher":"Schöningh","title":"Da sah ich mit Schrecken, daß sich die Welt um mich herum von A bis Z verwandelt hatte. Zur Verbindung von islamischer und romantischer Tradition in Orhan Pamuks \"Das Neue Leben\"","publication_status":"published","page":"231-243","citation":{"ama":"Schulte Eickholt S. Da sah ich mit Schrecken, daß sich die Welt um mich herum von A bis Z verwandelt hatte. Zur Verbindung von islamischer und romantischer Tradition in Orhan Pamuks “Das Neue Leben.” In: Hofmann M, Klaus  von S, eds. <i>Islam in der deutschen und türkischen Literatur</i>. Schöningh; 2012:231-243.","chicago":"Schulte Eickholt, Swen. “Da sah ich mit Schrecken, daß sich die Welt um mich herum von A bis Z verwandelt hatte. Zur Verbindung von islamischer und romantischer Tradition in Orhan Pamuks ‘Das Neue Leben.’” In <i>Islam in der deutschen und türkischen Literatur</i>, edited by Michael Hofmann and von Stosch Klaus, 231–43. Paderborn: Schöningh, 2012.","ieee":"S. Schulte Eickholt, “Da sah ich mit Schrecken, daß sich die Welt um mich herum von A bis Z verwandelt hatte. Zur Verbindung von islamischer und romantischer Tradition in Orhan Pamuks ‘Das Neue Leben,’” in <i>Islam in der deutschen und türkischen Literatur</i>, M. Hofmann and  von S. Klaus, Eds. Paderborn: Schöningh, 2012, pp. 231–243.","apa":"Schulte Eickholt, S. (2012). Da sah ich mit Schrecken, daß sich die Welt um mich herum von A bis Z verwandelt hatte. Zur Verbindung von islamischer und romantischer Tradition in Orhan Pamuks “Das Neue Leben.” In M. Hofmann &#38;  von S. Klaus (Eds.), <i>Islam in der deutschen und türkischen Literatur</i> (pp. 231–243). Schöningh.","bibtex":"@inbook{Schulte Eickholt_2012, place={Paderborn}, title={Da sah ich mit Schrecken, daß sich die Welt um mich herum von A bis Z verwandelt hatte. Zur Verbindung von islamischer und romantischer Tradition in Orhan Pamuks “Das Neue Leben”}, booktitle={Islam in der deutschen und türkischen Literatur}, publisher={Schöningh}, author={Schulte Eickholt, Swen}, editor={Hofmann, Michael and Klaus, von Stosch}, year={2012}, pages={231–243} }","short":"S. Schulte Eickholt, in: M. Hofmann,  von S. Klaus (Eds.), Islam in der deutschen und türkischen Literatur, Schöningh, Paderborn, 2012, pp. 231–243.","mla":"Schulte Eickholt, Swen. “Da sah ich mit Schrecken, daß sich die Welt um mich herum von A bis Z verwandelt hatte. Zur Verbindung von islamischer und romantischer Tradition in Orhan Pamuks ‘Das Neue Leben.’” <i>Islam in der deutschen und türkischen Literatur</i>, edited by Michael Hofmann and von Stosch Klaus, Schöningh, 2012, pp. 231–43."},"year":"2012","place":"Paderborn"},{"type":"review","publication":"CBQ","status":"public","user_id":"94584","_id":"58631","language":[{"iso":"eng"}],"citation":{"short":"C.D. Bergmann, CBQ 74 (2012) 584–585.","bibtex":"@article{Bergmann_2012, title={Rezension zu: „ ‘Und ihr wollt das Land besitzen?‘ (Ez 33,25): Ezechiels Umgang mit repräsentativen Redensarten“}, volume={74}, journal={CBQ}, author={Bergmann, Claudia Dorit}, year={2012}, pages={584–585} }","mla":"Bergmann, Claudia Dorit. “Rezension Zu: „ ‘Und Ihr Wollt Das Land Besitzen?‘ (Ez 33,25): Ezechiels Umgang Mit Repräsentativen Redensarten“.” <i>CBQ</i>, vol. 74, 2012, pp. 584–85.","apa":"Bergmann, C. D. (2012). Rezension zu: „ ‘Und ihr wollt das Land besitzen?‘ (Ez 33,25): Ezechiels Umgang mit repräsentativen Redensarten“. In <i>CBQ</i> (Vol. 74, pp. 584–585).","ama":"Bergmann CD. Rezension zu: „ ‘Und ihr wollt das Land besitzen?‘ (Ez 33,25): Ezechiels Umgang mit repräsentativen Redensarten“. <i>CBQ</i>. 2012;74:584-585.","ieee":"C. D. Bergmann, “Rezension zu: „ ‘Und ihr wollt das Land besitzen?‘ (Ez 33,25): Ezechiels Umgang mit repräsentativen Redensarten“,” <i>CBQ</i>, vol. 74. pp. 584–585, 2012.","chicago":"Bergmann, Claudia Dorit. “Rezension Zu: „ ‘Und Ihr Wollt Das Land Besitzen?‘ (Ez 33,25): Ezechiels Umgang Mit Repräsentativen Redensarten“.” <i>CBQ</i>, 2012."},"page":"584-585","intvolume":"        74","year":"2012","author":[{"first_name":"Claudia Dorit","id":"94584","full_name":"Bergmann, Claudia Dorit","last_name":"Bergmann"}],"date_created":"2025-02-13T15:03:10Z","volume":74,"date_updated":"2025-11-20T16:39:47Z","title":"Rezension zu: „ ‘Und ihr wollt das Land besitzen?‘ (Ez 33,25): Ezechiels Umgang mit repräsentativen Redensarten“"},{"user_id":"85414","department":[{"_id":"952"},{"_id":"321"}],"_id":"62788","status":"public","type":"journal_article","doi":"10.1002/pamm.201210129","author":[{"full_name":"Ostwald, Richard","id":"106876","orcid":"0000-0003-2147-8444","last_name":"Ostwald","first_name":"Richard"},{"first_name":"Thorsten","last_name":"Bartel","full_name":"Bartel, Thorsten"},{"first_name":"Andreas","full_name":"Menzel, Andreas","last_name":"Menzel"}],"volume":12,"date_updated":"2025-12-03T13:18:42Z","citation":{"ama":"Ostwald R, Bartel T, Menzel A. Simulation of phase‐transformations based on numerical minimization of intersecting Gibbs energy potentials. <i>PAMM</i>. 2012;12(1):277-278. doi:<a href=\"https://doi.org/10.1002/pamm.201210129\">10.1002/pamm.201210129</a>","ieee":"R. Ostwald, T. Bartel, and A. Menzel, “Simulation of phase‐transformations based on numerical minimization of intersecting Gibbs energy potentials,” <i>PAMM</i>, vol. 12, no. 1, pp. 277–278, 2012, doi: <a href=\"https://doi.org/10.1002/pamm.201210129\">10.1002/pamm.201210129</a>.","chicago":"Ostwald, Richard, Thorsten Bartel, and Andreas Menzel. “Simulation of Phase‐transformations Based on Numerical Minimization of Intersecting Gibbs Energy Potentials.” <i>PAMM</i> 12, no. 1 (2012): 277–78. <a href=\"https://doi.org/10.1002/pamm.201210129\">https://doi.org/10.1002/pamm.201210129</a>.","apa":"Ostwald, R., Bartel, T., &#38; Menzel, A. (2012). Simulation of phase‐transformations based on numerical minimization of intersecting Gibbs energy potentials. <i>PAMM</i>, <i>12</i>(1), 277–278. <a href=\"https://doi.org/10.1002/pamm.201210129\">https://doi.org/10.1002/pamm.201210129</a>","mla":"Ostwald, Richard, et al. “Simulation of Phase‐transformations Based on Numerical Minimization of Intersecting Gibbs Energy Potentials.” <i>PAMM</i>, vol. 12, no. 1, Wiley, 2012, pp. 277–78, doi:<a href=\"https://doi.org/10.1002/pamm.201210129\">10.1002/pamm.201210129</a>.","bibtex":"@article{Ostwald_Bartel_Menzel_2012, title={Simulation of phase‐transformations based on numerical minimization of intersecting Gibbs energy potentials}, volume={12}, DOI={<a href=\"https://doi.org/10.1002/pamm.201210129\">10.1002/pamm.201210129</a>}, number={1}, journal={PAMM}, publisher={Wiley}, author={Ostwald, Richard and Bartel, Thorsten and Menzel, Andreas}, year={2012}, pages={277–278} }","short":"R. Ostwald, T. Bartel, A. Menzel, PAMM 12 (2012) 277–278."},"intvolume":"        12","page":"277-278","publication_status":"published","publication_identifier":{"issn":["1617-7061","1617-7061"]},"language":[{"iso":"eng"}],"abstract":[{"lang":"eng","text":"<jats:title>Abstract</jats:title><jats:p>We present a novel approach for the simulation of solid to solid phase‐transformations in polycrystalline materials. To facilitate the utilization of a non‐affine micro‐sphere formulation with volumetric‐deviatoric split, we introduce Helmholtz free energy functions depending on volumetric and deviatoric strain measures for the underlying scalar‐valued phase‐transformation model. As an extension of affine micro‐sphere models [5], the non‐affine micro‐sphere formulation with volumetric‐deviatoric split allows to capture different Young's moduli and Poisson's ratios on the macro‐scale [1]. As a consequence, the temperature‐dependent free energy assigned to each individual phase takes the form of an elliptic paraboloid in volumetric‐deviatoric strain space, where the energy landscape of the overall material is obtained from the contributions of the individual constituents. For the evolution of volume fractions, we use an approach based on statistical physics–taking into account actual Gibbs energy barriers and transformation probabilities [2]. The computation of individual energy barriers between the phases considered is enabled by numerical minimization of parametric intersection curves of elliptic Gibbs energy paraboloids. (© 2012 Wiley‐VCH Verlag GmbH &amp; Co. KGaA, Weinheim)</jats:p>"}],"publication":"PAMM","title":"Simulation of phase‐transformations based on numerical minimization of intersecting Gibbs energy potentials","date_created":"2025-12-03T13:17:53Z","publisher":"Wiley","year":"2012","issue":"1","quality_controlled":"1"},{"publication_status":"published","publication_identifier":{"issn":["0927-0256"]},"quality_controlled":"1","citation":{"ieee":"R. Ostwald, T. Bartel, and A. Menzel, “Phase-transformations interacting with plasticity – A micro-sphere model applied to TRIP steel,” <i>Computational Materials Science</i>, vol. 64, pp. 12–16, 2012, doi: <a href=\"https://doi.org/10.1016/j.commatsci.2012.05.015\">10.1016/j.commatsci.2012.05.015</a>.","chicago":"Ostwald, Richard, Thorsten Bartel, and Andreas Menzel. “Phase-Transformations Interacting with Plasticity – A Micro-Sphere Model Applied to TRIP Steel.” <i>Computational Materials Science</i> 64 (2012): 12–16. <a href=\"https://doi.org/10.1016/j.commatsci.2012.05.015\">https://doi.org/10.1016/j.commatsci.2012.05.015</a>.","ama":"Ostwald R, Bartel T, Menzel A. Phase-transformations interacting with plasticity – A micro-sphere model applied to TRIP steel. <i>Computational Materials Science</i>. 2012;64:12-16. doi:<a href=\"https://doi.org/10.1016/j.commatsci.2012.05.015\">10.1016/j.commatsci.2012.05.015</a>","bibtex":"@article{Ostwald_Bartel_Menzel_2012, title={Phase-transformations interacting with plasticity – A micro-sphere model applied to TRIP steel}, volume={64}, DOI={<a href=\"https://doi.org/10.1016/j.commatsci.2012.05.015\">10.1016/j.commatsci.2012.05.015</a>}, journal={Computational Materials Science}, publisher={Elsevier BV}, author={Ostwald, Richard and Bartel, Thorsten and Menzel, Andreas}, year={2012}, pages={12–16} }","mla":"Ostwald, Richard, et al. “Phase-Transformations Interacting with Plasticity – A Micro-Sphere Model Applied to TRIP Steel.” <i>Computational Materials Science</i>, vol. 64, Elsevier BV, 2012, pp. 12–16, doi:<a href=\"https://doi.org/10.1016/j.commatsci.2012.05.015\">10.1016/j.commatsci.2012.05.015</a>.","short":"R. Ostwald, T. Bartel, A. Menzel, Computational Materials Science 64 (2012) 12–16.","apa":"Ostwald, R., Bartel, T., &#38; Menzel, A. (2012). Phase-transformations interacting with plasticity – A micro-sphere model applied to TRIP steel. <i>Computational Materials Science</i>, <i>64</i>, 12–16. <a href=\"https://doi.org/10.1016/j.commatsci.2012.05.015\">https://doi.org/10.1016/j.commatsci.2012.05.015</a>"},"intvolume":"        64","page":"12-16","year":"2012","date_created":"2025-12-03T13:16:44Z","author":[{"first_name":"Richard","full_name":"Ostwald, Richard","id":"106876","last_name":"Ostwald","orcid":"0000-0003-2147-8444"},{"first_name":"Thorsten","last_name":"Bartel","full_name":"Bartel, Thorsten"},{"first_name":"Andreas","last_name":"Menzel","full_name":"Menzel, Andreas"}],"volume":64,"publisher":"Elsevier BV","date_updated":"2025-12-03T13:17:26Z","doi":"10.1016/j.commatsci.2012.05.015","title":"Phase-transformations interacting with plasticity – A micro-sphere model applied to TRIP steel","type":"journal_article","publication":"Computational Materials Science","status":"public","user_id":"85414","department":[{"_id":"952"},{"_id":"321"}],"_id":"62787","language":[{"iso":"eng"}]},{"publication_identifier":{"issn":["0013-4686"]},"publication_status":"published","page":"166-170","intvolume":"        90","citation":{"ama":"Fedorov FS, Linnemann J, Tschulik K, Giebeler L, Uhlemann M, Gebert A. Capacitance performance of cobalt hydroxide-based capacitors with utilization of near-neutral electrolytes. <i>Electrochimica Acta</i>. 2012;90:166-170. doi:<a href=\"https://doi.org/10.1016/j.electacta.2012.11.123\">10.1016/j.electacta.2012.11.123</a>","chicago":"Fedorov, Fedor S., Julia Linnemann, Kristina Tschulik, Lars Giebeler, Margitta Uhlemann, and Annett Gebert. “Capacitance Performance of Cobalt Hydroxide-Based Capacitors with Utilization of near-Neutral Electrolytes.” <i>Electrochimica Acta</i> 90 (2012): 166–70. <a href=\"https://doi.org/10.1016/j.electacta.2012.11.123\">https://doi.org/10.1016/j.electacta.2012.11.123</a>.","ieee":"F. S. Fedorov, J. Linnemann, K. Tschulik, L. Giebeler, M. Uhlemann, and A. Gebert, “Capacitance performance of cobalt hydroxide-based capacitors with utilization of near-neutral electrolytes,” <i>Electrochimica Acta</i>, vol. 90, pp. 166–170, 2012, doi: <a href=\"https://doi.org/10.1016/j.electacta.2012.11.123\">10.1016/j.electacta.2012.11.123</a>.","apa":"Fedorov, F. S., Linnemann, J., Tschulik, K., Giebeler, L., Uhlemann, M., &#38; Gebert, A. (2012). Capacitance performance of cobalt hydroxide-based capacitors with utilization of near-neutral electrolytes. <i>Electrochimica Acta</i>, <i>90</i>, 166–170. <a href=\"https://doi.org/10.1016/j.electacta.2012.11.123\">https://doi.org/10.1016/j.electacta.2012.11.123</a>","short":"F.S. Fedorov, J. Linnemann, K. Tschulik, L. Giebeler, M. Uhlemann, A. Gebert, Electrochimica Acta 90 (2012) 166–170.","mla":"Fedorov, Fedor S., et al. “Capacitance Performance of Cobalt Hydroxide-Based Capacitors with Utilization of near-Neutral Electrolytes.” <i>Electrochimica Acta</i>, vol. 90, Elsevier BV, 2012, pp. 166–70, doi:<a href=\"https://doi.org/10.1016/j.electacta.2012.11.123\">10.1016/j.electacta.2012.11.123</a>.","bibtex":"@article{Fedorov_Linnemann_Tschulik_Giebeler_Uhlemann_Gebert_2012, title={Capacitance performance of cobalt hydroxide-based capacitors with utilization of near-neutral electrolytes}, volume={90}, DOI={<a href=\"https://doi.org/10.1016/j.electacta.2012.11.123\">10.1016/j.electacta.2012.11.123</a>}, journal={Electrochimica Acta}, publisher={Elsevier BV}, author={Fedorov, Fedor S. and Linnemann, Julia and Tschulik, Kristina and Giebeler, Lars and Uhlemann, Margitta and Gebert, Annett}, year={2012}, pages={166–170} }"},"volume":90,"author":[{"full_name":"Fedorov, Fedor S.","last_name":"Fedorov","first_name":"Fedor S."},{"first_name":"Julia","last_name":"Linnemann","orcid":"0000-0001-6883-5424","full_name":"Linnemann, Julia","id":"116779"},{"first_name":"Kristina","full_name":"Tschulik, Kristina","last_name":"Tschulik"},{"first_name":"Lars","last_name":"Giebeler","full_name":"Giebeler, Lars"},{"first_name":"Margitta","full_name":"Uhlemann, Margitta","last_name":"Uhlemann"},{"full_name":"Gebert, Annett","last_name":"Gebert","first_name":"Annett"}],"date_updated":"2025-12-03T16:35:20Z","doi":"10.1016/j.electacta.2012.11.123","type":"journal_article","status":"public","department":[{"_id":"985"}],"user_id":"116779","_id":"62808","extern":"1","article_type":"original","quality_controlled":"1","year":"2012","date_created":"2025-12-03T15:47:09Z","publisher":"Elsevier BV","title":"Capacitance performance of cobalt hydroxide-based capacitors with utilization of near-neutral electrolytes","publication":"Electrochimica Acta","abstract":[{"lang":"eng","text":"Conventional alkaline solutions used for capacitive performance of electrodeposited cobalt hydroxides have a number of disadvantages as they are corrosive, environmentally unfriendly and provide a small working potential range. In this study, the capacitive properties of electrodeposited cobalt hydroxide/oxide were investigated in 1 M Na2SO4 solution with pH 5.5 by means of cyclic voltammetry, galvanostatic charging/discharging experiments and electrochemical impedance spectroscopy. The capacitance of the cobalt hydroxide/oxide was demonstrated to have high values of 141 F g−1 at scan rate 8 mV s−1 in this 1 M Na2SO4 solution. The anodic potential range is extended by 0.8–1.3 V vs. Ag/AgCl. A good cyclic stability and reversibility were observed."}],"language":[{"iso":"eng"}],"keyword":["electrodeposition","cobalt hydroxide","supercapacitors"]},{"status":"public","publication":"Physical Review B","type":"journal_article","language":[{"iso":"eng"}],"_id":"13546","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"user_id":"16199","year":"2012","intvolume":"        85","citation":{"bibtex":"@article{Riefer_Rauls_Schmidt_Eberhard_Stoll_Mattay_2012, title={2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response}, volume={85}, DOI={<a href=\"https://doi.org/10.1103/physrevb.85.165202\">10.1103/physrevb.85.165202</a>}, number={16}, journal={Physical Review B}, author={Riefer, A. and Rauls, E. and Schmidt, Wolf Gero and Eberhard, J. and Stoll, I. and Mattay, J.}, year={2012} }","mla":"Riefer, A., et al. “2-Aminopyrimidine-Silver(I) Based Organic Semiconductors: Electronic Structure and Optical Response.” <i>Physical Review B</i>, vol. 85, no. 16, 2012, doi:<a href=\"https://doi.org/10.1103/physrevb.85.165202\">10.1103/physrevb.85.165202</a>.","short":"A. Riefer, E. Rauls, W.G. Schmidt, J. Eberhard, I. Stoll, J. Mattay, Physical Review B 85 (2012).","apa":"Riefer, A., Rauls, E., Schmidt, W. G., Eberhard, J., Stoll, I., &#38; Mattay, J. (2012). 2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response. <i>Physical Review B</i>, <i>85</i>(16). <a href=\"https://doi.org/10.1103/physrevb.85.165202\">https://doi.org/10.1103/physrevb.85.165202</a>","ama":"Riefer A, Rauls E, Schmidt WG, Eberhard J, Stoll I, Mattay J. 2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response. <i>Physical Review B</i>. 2012;85(16). doi:<a href=\"https://doi.org/10.1103/physrevb.85.165202\">10.1103/physrevb.85.165202</a>","chicago":"Riefer, A., E. Rauls, Wolf Gero Schmidt, J. Eberhard, I. Stoll, and J. Mattay. “2-Aminopyrimidine-Silver(I) Based Organic Semiconductors: Electronic Structure and Optical Response.” <i>Physical Review B</i> 85, no. 16 (2012). <a href=\"https://doi.org/10.1103/physrevb.85.165202\">https://doi.org/10.1103/physrevb.85.165202</a>.","ieee":"A. Riefer, E. Rauls, W. G. Schmidt, J. Eberhard, I. Stoll, and J. Mattay, “2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response,” <i>Physical Review B</i>, vol. 85, no. 16, 2012, doi: <a href=\"https://doi.org/10.1103/physrevb.85.165202\">10.1103/physrevb.85.165202</a>."},"publication_identifier":{"issn":["1098-0121","1550-235X"]},"publication_status":"published","issue":"16","title":"2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response","doi":"10.1103/physrevb.85.165202","date_updated":"2025-12-05T10:45:11Z","volume":85,"date_created":"2019-09-30T14:53:08Z","author":[{"last_name":"Riefer","full_name":"Riefer, A.","first_name":"A."},{"last_name":"Rauls","full_name":"Rauls, E.","first_name":"E."},{"orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero"},{"last_name":"Eberhard","full_name":"Eberhard, J.","first_name":"J."},{"first_name":"I.","last_name":"Stoll","full_name":"Stoll, I."},{"first_name":"J.","last_name":"Mattay","full_name":"Mattay, J."}]},{"status":"public","publication":"Journal of Physics: Condensed Matter","type":"journal_article","language":[{"iso":"eng"}],"article_number":"195503","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"user_id":"16199","_id":"13545","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"intvolume":"        24","citation":{"apa":"Landmann, M., Rauls, E., &#38; Schmidt, W. G. (2012). The electronic structure and optical response of rutile, anatase and brookite TiO2. <i>Journal of Physics: Condensed Matter</i>, <i>24</i>, Article 195503. <a href=\"https://doi.org/10.1088/0953-8984/24/19/195503\">https://doi.org/10.1088/0953-8984/24/19/195503</a>","bibtex":"@article{Landmann_Rauls_Schmidt_2012, title={The electronic structure and optical response of rutile, anatase and brookite TiO2}, volume={24}, DOI={<a href=\"https://doi.org/10.1088/0953-8984/24/19/195503\">10.1088/0953-8984/24/19/195503</a>}, number={195503}, journal={Journal of Physics: Condensed Matter}, author={Landmann, M and Rauls, E and Schmidt, Wolf Gero}, year={2012} }","mla":"Landmann, M., et al. “The Electronic Structure and Optical Response of Rutile, Anatase and Brookite TiO2.” <i>Journal of Physics: Condensed Matter</i>, vol. 24, 195503, 2012, doi:<a href=\"https://doi.org/10.1088/0953-8984/24/19/195503\">10.1088/0953-8984/24/19/195503</a>.","short":"M. Landmann, E. Rauls, W.G. Schmidt, Journal of Physics: Condensed Matter 24 (2012).","chicago":"Landmann, M, E Rauls, and Wolf Gero Schmidt. “The Electronic Structure and Optical Response of Rutile, Anatase and Brookite TiO2.” <i>Journal of Physics: Condensed Matter</i> 24 (2012). <a href=\"https://doi.org/10.1088/0953-8984/24/19/195503\">https://doi.org/10.1088/0953-8984/24/19/195503</a>.","ieee":"M. Landmann, E. Rauls, and W. G. Schmidt, “The electronic structure and optical response of rutile, anatase and brookite TiO2,” <i>Journal of Physics: Condensed Matter</i>, vol. 24, Art. no. 195503, 2012, doi: <a href=\"https://doi.org/10.1088/0953-8984/24/19/195503\">10.1088/0953-8984/24/19/195503</a>.","ama":"Landmann M, Rauls E, Schmidt WG. The electronic structure and optical response of rutile, anatase and brookite TiO2. <i>Journal of Physics: Condensed Matter</i>. 2012;24. doi:<a href=\"https://doi.org/10.1088/0953-8984/24/19/195503\">10.1088/0953-8984/24/19/195503</a>"},"year":"2012","publication_identifier":{"issn":["0953-8984","1361-648X"]},"publication_status":"published","doi":"10.1088/0953-8984/24/19/195503","title":"The electronic structure and optical response of rutile, anatase and brookite TiO2","volume":24,"author":[{"full_name":"Landmann, M","last_name":"Landmann","first_name":"M"},{"last_name":"Rauls","full_name":"Rauls, E","first_name":"E"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468","full_name":"Schmidt, Wolf Gero"}],"date_created":"2019-09-30T14:51:40Z","date_updated":"2025-12-05T10:45:31Z"},{"author":[{"last_name":"Thissen","full_name":"Thissen, Peter","first_name":"Peter"},{"first_name":"Vera","last_name":"Thissen","full_name":"Thissen, Vera"},{"first_name":"Stefan","full_name":"Wippermann, Stefan","last_name":"Wippermann"},{"full_name":"Chabal, Yves J.","last_name":"Chabal","first_name":"Yves J."},{"last_name":"Grundmeier","id":"194","full_name":"Grundmeier, Guido","first_name":"Guido"},{"first_name":"Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt","full_name":"Schmidt, Wolf Gero","id":"468"}],"date_created":"2019-09-30T14:54:38Z","volume":606,"date_updated":"2025-12-05T10:44:50Z","doi":"10.1016/j.susc.2012.01.018","title":"pH-dependent structure and energetics of H2O/MgO(100)","publication_status":"published","publication_identifier":{"issn":["0039-6028"]},"citation":{"apa":"Thissen, P., Thissen, V., Wippermann, S., Chabal, Y. 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G., Pertram, T., &#38; Wandelt, K. (2012). Interplay between metal-free phthalocyanine molecules and Au(110) substrates. <i>Surface Science</i>, <i>606</i>, 1120–1125. <a href=\"https://doi.org/10.1016/j.susc.2012.03.010\">https://doi.org/10.1016/j.susc.2012.03.010</a>"},"year":"2012"},{"issue":"6","publication_identifier":{"issn":["1862-6351"]},"publication_status":"published","intvolume":"         9","page":"1361-1365","citation":{"chicago":"Hölscher, R., S. Sanna, and Wolf Gero Schmidt. “Adsorption of OH and H at the LiNbO3(0001) Surface.” <i>Physica Status Solidi (c)</i> 9, no. 6 (2012): 1361–65. <a href=\"https://doi.org/10.1002/pssc.201100534\">https://doi.org/10.1002/pssc.201100534</a>.","ieee":"R. Hölscher, S. Sanna, and W. G. 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Wall, B. Krenzer, S. Wippermann, S. Sanna, F. Klasing, A. Hanisch-Blicharski, M. Kammler, W.G. Schmidt, M. Horn-von Hoegen, Physical Review Letters 109 (2012)."},"intvolume":"       109","year":"2012"},{"status":"public","type":"journal_article","publication":"IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control","language":[{"iso":"eng"}],"user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"13536","citation":{"ama":"Riefer A, Sanna S, Gavrilenko AV, Schmidt WG. Linear and nonlinear optical response of LiNbO3 calculated from first principles. <i>IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control</i>. 2012;59(9):1929-1933. doi:<a href=\"https://doi.org/10.1109/tuffc.2012.2409\">10.1109/tuffc.2012.2409</a>","chicago":"Riefer, Arthur, Simone Sanna, Alexander V. Gavrilenko, and Wolf Gero Schmidt. “Linear and Nonlinear Optical Response of LiNbO3 Calculated from First Principles.” <i>IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control</i> 59, no. 9 (2012): 1929–33. <a href=\"https://doi.org/10.1109/tuffc.2012.2409\">https://doi.org/10.1109/tuffc.2012.2409</a>.","ieee":"A. Riefer, S. Sanna, A. V. Gavrilenko, and W. G. Schmidt, “Linear and nonlinear optical response of LiNbO3 calculated from first principles,” <i>IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control</i>, vol. 59, no. 9, pp. 1929–1933, 2012, doi: <a href=\"https://doi.org/10.1109/tuffc.2012.2409\">10.1109/tuffc.2012.2409</a>.","bibtex":"@article{Riefer_Sanna_Gavrilenko_Schmidt_2012, title={Linear and nonlinear optical response of LiNbO3 calculated from first principles}, volume={59}, DOI={<a href=\"https://doi.org/10.1109/tuffc.2012.2409\">10.1109/tuffc.2012.2409</a>}, number={9}, journal={IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control}, author={Riefer, Arthur and Sanna, Simone and Gavrilenko, Alexander V. and Schmidt, Wolf Gero}, year={2012}, pages={1929–1933} }","short":"A. Riefer, S. Sanna, A.V. Gavrilenko, W.G. Schmidt, IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control 59 (2012) 1929–1933.","mla":"Riefer, Arthur, et al. “Linear and Nonlinear Optical Response of LiNbO3 Calculated from First Principles.” <i>IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control</i>, vol. 59, no. 9, 2012, pp. 1929–33, doi:<a href=\"https://doi.org/10.1109/tuffc.2012.2409\">10.1109/tuffc.2012.2409</a>.","apa":"Riefer, A., Sanna, S., Gavrilenko, A. V., &#38; Schmidt, W. G. (2012). Linear and nonlinear optical response of LiNbO3 calculated from first principles. <i>IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control</i>, <i>59</i>(9), 1929–1933. <a href=\"https://doi.org/10.1109/tuffc.2012.2409\">https://doi.org/10.1109/tuffc.2012.2409</a>"},"page":"1929-1933","intvolume":"        59","year":"2012","issue":"9","publication_status":"published","publication_identifier":{"issn":["0885-3010"]},"doi":"10.1109/tuffc.2012.2409","title":"Linear and nonlinear optical response of LiNbO3 calculated from first principles","date_created":"2019-09-30T14:36:41Z","author":[{"first_name":"Arthur","full_name":"Riefer, Arthur","last_name":"Riefer"},{"full_name":"Sanna, Simone","last_name":"Sanna","first_name":"Simone"},{"first_name":"Alexander V.","full_name":"Gavrilenko, Alexander V.","last_name":"Gavrilenko"},{"first_name":"Wolf Gero","id":"468","full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","last_name":"Schmidt"}],"volume":59,"date_updated":"2025-12-05T10:47:36Z"},{"title":"Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2","doi":"10.1103/physrevb.86.064201","date_updated":"2025-12-05T10:46:28Z","date_created":"2019-09-30T14:44:41Z","author":[{"first_name":"M.","last_name":"Landmann","full_name":"Landmann, M."},{"full_name":"Köhler, T.","last_name":"Köhler","first_name":"T."},{"last_name":"Köppen","full_name":"Köppen, S.","first_name":"S."},{"first_name":"E.","last_name":"Rauls","full_name":"Rauls, E."},{"first_name":"T.","full_name":"Frauenheim, T.","last_name":"Frauenheim"},{"id":"468","full_name":"Schmidt, Wolf Gero","last_name":"Schmidt","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero"}],"volume":86,"year":"2012","citation":{"chicago":"Landmann, M., T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, and Wolf Gero Schmidt. “Fingerprints of Order and Disorder in the Electronic and Optical Properties of Crystalline and Amorphous TiO2.” <i>Physical Review B</i> 86, no. 6 (2012). <a href=\"https://doi.org/10.1103/physrevb.86.064201\">https://doi.org/10.1103/physrevb.86.064201</a>.","ieee":"M. Landmann, T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, and W. G. Schmidt, “Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2,” <i>Physical Review B</i>, vol. 86, no. 6, 2012, doi: <a href=\"https://doi.org/10.1103/physrevb.86.064201\">10.1103/physrevb.86.064201</a>.","ama":"Landmann M, Köhler T, Köppen S, Rauls E, Frauenheim T, Schmidt WG. Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2. <i>Physical Review B</i>. 2012;86(6). doi:<a href=\"https://doi.org/10.1103/physrevb.86.064201\">10.1103/physrevb.86.064201</a>","short":"M. Landmann, T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, W.G. Schmidt, Physical Review B 86 (2012).","mla":"Landmann, M., et al. “Fingerprints of Order and Disorder in the Electronic and Optical Properties of Crystalline and Amorphous TiO2.” <i>Physical Review B</i>, vol. 86, no. 6, 2012, doi:<a href=\"https://doi.org/10.1103/physrevb.86.064201\">10.1103/physrevb.86.064201</a>.","bibtex":"@article{Landmann_Köhler_Köppen_Rauls_Frauenheim_Schmidt_2012, title={Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2}, volume={86}, DOI={<a href=\"https://doi.org/10.1103/physrevb.86.064201\">10.1103/physrevb.86.064201</a>}, number={6}, journal={Physical Review B}, author={Landmann, M. and Köhler, T. and Köppen, S. and Rauls, E. and Frauenheim, T. and Schmidt, Wolf Gero}, year={2012} }","apa":"Landmann, M., Köhler, T., Köppen, S., Rauls, E., Frauenheim, T., &#38; Schmidt, W. G. (2012). Fingerprints of order and disorder in the electronic and optical properties of crystalline and amorphous TiO2. <i>Physical Review B</i>, <i>86</i>(6). <a href=\"https://doi.org/10.1103/physrevb.86.064201\">https://doi.org/10.1103/physrevb.86.064201</a>"},"intvolume":"        86","publication_status":"published","publication_identifier":{"issn":["1098-0121","1550-235X"]},"issue":"6","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"13541","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"status":"public","type":"journal_article","publication":"Physical Review B"},{"citation":{"ieee":"C. Schmidt, T. Breuer, S. Wippermann, W. G. Schmidt, and G. Witte, “Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals,” <i>The Journal of Physical Chemistry C</i>, vol. 116, pp. 24098–24106, 2012, doi: <a href=\"https://doi.org/10.1021/jp307316r\">10.1021/jp307316r</a>.","chicago":"Schmidt, Christian, Tobias Breuer, Stefan Wippermann, Wolf Gero Schmidt, and Gregor Witte. “Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals.” <i>The Journal of Physical Chemistry C</i> 116 (2012): 24098–106. <a href=\"https://doi.org/10.1021/jp307316r\">https://doi.org/10.1021/jp307316r</a>.","ama":"Schmidt C, Breuer T, Wippermann S, Schmidt WG, Witte G. Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals. <i>The Journal of Physical Chemistry C</i>. 2012;116:24098-24106. doi:<a href=\"https://doi.org/10.1021/jp307316r\">10.1021/jp307316r</a>","apa":"Schmidt, C., Breuer, T., Wippermann, S., Schmidt, W. G., &#38; Witte, G. (2012). Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals. <i>The Journal of Physical Chemistry C</i>, <i>116</i>, 24098–24106. <a href=\"https://doi.org/10.1021/jp307316r\">https://doi.org/10.1021/jp307316r</a>","short":"C. Schmidt, T. Breuer, S. Wippermann, W.G. Schmidt, G. Witte, The Journal of Physical Chemistry C 116 (2012) 24098–24106.","bibtex":"@article{Schmidt_Breuer_Wippermann_Schmidt_Witte_2012, title={Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals}, volume={116}, DOI={<a href=\"https://doi.org/10.1021/jp307316r\">10.1021/jp307316r</a>}, journal={The Journal of Physical Chemistry C}, author={Schmidt, Christian and Breuer, Tobias and Wippermann, Stefan and Schmidt, Wolf Gero and Witte, Gregor}, year={2012}, pages={24098–24106} }","mla":"Schmidt, Christian, et al. “Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals.” <i>The Journal of Physical Chemistry C</i>, vol. 116, 2012, pp. 24098–106, doi:<a href=\"https://doi.org/10.1021/jp307316r\">10.1021/jp307316r</a>."},"intvolume":"       116","page":"24098-24106","year":"2012","publication_status":"published","publication_identifier":{"issn":["1932-7447","1932-7455"]},"doi":"10.1021/jp307316r","title":"Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals","date_created":"2019-09-30T14:24:41Z","author":[{"first_name":"Christian","last_name":"Schmidt","full_name":"Schmidt, Christian"},{"first_name":"Tobias","last_name":"Breuer","full_name":"Breuer, Tobias"},{"last_name":"Wippermann","full_name":"Wippermann, Stefan","first_name":"Stefan"},{"full_name":"Schmidt, Wolf Gero","id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"},{"first_name":"Gregor","last_name":"Witte","full_name":"Witte, Gregor"}],"volume":116,"date_updated":"2025-12-05T10:48:55Z","status":"public","type":"journal_article","publication":"The Journal of Physical Chemistry C","language":[{"iso":"eng"}],"user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"13531"},{"doi":"10.1109/tuffc.2012.2408","title":"Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics","author":[{"full_name":"Sanna, S.","last_name":"Sanna","first_name":"S."},{"full_name":"Schmidt, Wolf Gero","id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt","first_name":"Wolf Gero"}],"date_created":"2019-09-30T14:32:33Z","volume":59,"date_updated":"2025-12-05T10:47:57Z","citation":{"apa":"Sanna, S., &#38; Schmidt, W. G. (2012). Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics. <i>IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control</i>, <i>59</i>(9), 1925–1928. <a href=\"https://doi.org/10.1109/tuffc.2012.2408\">https://doi.org/10.1109/tuffc.2012.2408</a>","bibtex":"@article{Sanna_Schmidt_2012, title={Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics}, volume={59}, DOI={<a href=\"https://doi.org/10.1109/tuffc.2012.2408\">10.1109/tuffc.2012.2408</a>}, number={9}, journal={IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control}, author={Sanna, S. and Schmidt, Wolf Gero}, year={2012}, pages={1925–1928} }","short":"S. Sanna, W.G. Schmidt, IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control 59 (2012) 1925–1928.","mla":"Sanna, S., and Wolf Gero Schmidt. “Ferroelectric Phase Transition in LiNbO3: Insights from Molecular Dynamics.” <i>IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control</i>, vol. 59, no. 9, 2012, pp. 1925–28, doi:<a href=\"https://doi.org/10.1109/tuffc.2012.2408\">10.1109/tuffc.2012.2408</a>.","ama":"Sanna S, Schmidt WG. Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics. <i>IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control</i>. 2012;59(9):1925-1928. doi:<a href=\"https://doi.org/10.1109/tuffc.2012.2408\">10.1109/tuffc.2012.2408</a>","chicago":"Sanna, S., and Wolf Gero Schmidt. “Ferroelectric Phase Transition in LiNbO3: Insights from Molecular Dynamics.” <i>IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control</i> 59, no. 9 (2012): 1925–28. <a href=\"https://doi.org/10.1109/tuffc.2012.2408\">https://doi.org/10.1109/tuffc.2012.2408</a>.","ieee":"S. Sanna and W. G. Schmidt, “Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics,” <i>IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control</i>, vol. 59, no. 9, pp. 1925–1928, 2012, doi: <a href=\"https://doi.org/10.1109/tuffc.2012.2408\">10.1109/tuffc.2012.2408</a>."},"page":"1925-1928","intvolume":"        59","year":"2012","issue":"9","publication_status":"published","publication_identifier":{"issn":["0885-3010"]},"language":[{"iso":"eng"}],"user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"13535","status":"public","type":"journal_article","publication":"IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control"},{"language":[{"iso":"eng"}],"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"13538","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"status":"public","type":"journal_article","publication":"Physical Review B","title":"Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces","doi":"10.1103/physrevb.86.125410","date_updated":"2025-12-05T10:47:16Z","date_created":"2019-09-30T14:40:30Z","author":[{"full_name":"Riefer, A.","last_name":"Riefer","first_name":"A."},{"last_name":"Sanna","full_name":"Sanna, S.","first_name":"S."},{"orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468","full_name":"Schmidt, Wolf Gero","first_name":"Wolf Gero"}],"volume":86,"year":"2012","citation":{"short":"A. Riefer, S. Sanna, W.G. Schmidt, Physical Review B 86 (2012).","bibtex":"@article{Riefer_Sanna_Schmidt_2012, title={Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces}, volume={86}, DOI={<a href=\"https://doi.org/10.1103/physrevb.86.125410\">10.1103/physrevb.86.125410</a>}, number={12}, journal={Physical Review B}, author={Riefer, A. and Sanna, S. and Schmidt, Wolf Gero}, year={2012} }","mla":"Riefer, A., et al. “Polarization-Dependent Methanol Adsorption on Lithium Niobate Z-Cut Surfaces.” <i>Physical Review B</i>, vol. 86, no. 12, 2012, doi:<a href=\"https://doi.org/10.1103/physrevb.86.125410\">10.1103/physrevb.86.125410</a>.","apa":"Riefer, A., Sanna, S., &#38; Schmidt, W. G. (2012). Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces. <i>Physical Review B</i>, <i>86</i>(12). <a href=\"https://doi.org/10.1103/physrevb.86.125410\">https://doi.org/10.1103/physrevb.86.125410</a>","chicago":"Riefer, A., S. Sanna, and Wolf Gero Schmidt. “Polarization-Dependent Methanol Adsorption on Lithium Niobate Z-Cut Surfaces.” <i>Physical Review B</i> 86, no. 12 (2012). <a href=\"https://doi.org/10.1103/physrevb.86.125410\">https://doi.org/10.1103/physrevb.86.125410</a>.","ieee":"A. Riefer, S. Sanna, and W. G. Schmidt, “Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces,” <i>Physical Review B</i>, vol. 86, no. 12, 2012, doi: <a href=\"https://doi.org/10.1103/physrevb.86.125410\">10.1103/physrevb.86.125410</a>.","ama":"Riefer A, Sanna S, Schmidt WG. Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces. <i>Physical Review B</i>. 2012;86(12). doi:<a href=\"https://doi.org/10.1103/physrevb.86.125410\">10.1103/physrevb.86.125410</a>"},"intvolume":"        86","publication_status":"published","publication_identifier":{"issn":["1098-0121","1550-235X"]},"issue":"12"},{"abstract":[{"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>","lang":"eng"}],"status":"public","type":"journal_article","publication":"The Journal of Chemical Physics","article_number":"224102","language":[{"iso":"eng"}],"_id":"62927","user_id":"16199","department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"}],"year":"2012","citation":{"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>.","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>.","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>","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>","short":"J.-C. Denis, S. Schumacher, I. Galbraith, The Journal of Chemical Physics 137 (2012).","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} }","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>."},"intvolume":"       137","publication_status":"published","publication_identifier":{"issn":["0021-9606","1089-7690"]},"issue":"22","title":"Quantitative description of interactions between linear organic chromophores","doi":"10.1063/1.4768244","publisher":"AIP Publishing","date_updated":"2025-12-05T14:59:12Z","author":[{"first_name":"Jean-Christophe","full_name":"Denis, Jean-Christophe","last_name":"Denis"},{"first_name":"Stefan","orcid":"0000-0003-4042-4951","last_name":"Schumacher","full_name":"Schumacher, Stefan","id":"27271"},{"last_name":"Galbraith","full_name":"Galbraith, Ian","first_name":"Ian"}],"date_created":"2025-12-05T14:58:30Z","volume":137},{"year":"2012","page":"4454-4460","citation":{"ama":"Wiebeler C, Tautz R, Feldmann J, von Hauff E, Da Como E, Schumacher S. Spectral Signatures of Polarons in Conjugated Co-polymers. <i>The Journal of Physical Chemistry B</i>. Published online 2012:4454-4460. doi:<a href=\"https://doi.org/10.1021/jp3084869\">10.1021/jp3084869</a>","chicago":"Wiebeler, Christian, Raphael Tautz, Jochen Feldmann, Elizabeth von Hauff, Enrico Da Como, and Stefan Schumacher. “Spectral Signatures of Polarons in Conjugated Co-Polymers.” <i>The Journal of Physical Chemistry B</i>, 2012, 4454–60. <a href=\"https://doi.org/10.1021/jp3084869\">https://doi.org/10.1021/jp3084869</a>.","ieee":"C. Wiebeler, R. Tautz, J. Feldmann, E. von Hauff, E. Da Como, and S. Schumacher, “Spectral Signatures of Polarons in Conjugated Co-polymers,” <i>The Journal of Physical Chemistry B</i>, pp. 4454–4460, 2012, doi: <a href=\"https://doi.org/10.1021/jp3084869\">10.1021/jp3084869</a>.","apa":"Wiebeler, C., Tautz, R., Feldmann, J., von Hauff, E., Da Como, E., &#38; Schumacher, S. (2012). Spectral Signatures of Polarons in Conjugated Co-polymers. <i>The Journal of Physical Chemistry B</i>, 4454–4460. <a href=\"https://doi.org/10.1021/jp3084869\">https://doi.org/10.1021/jp3084869</a>","mla":"Wiebeler, Christian, et al. “Spectral Signatures of Polarons in Conjugated Co-Polymers.” <i>The Journal of Physical Chemistry B</i>, 2012, pp. 4454–60, doi:<a href=\"https://doi.org/10.1021/jp3084869\">10.1021/jp3084869</a>.","bibtex":"@article{Wiebeler_Tautz_Feldmann_von Hauff_Da Como_Schumacher_2012, title={Spectral Signatures of Polarons in Conjugated Co-polymers}, DOI={<a href=\"https://doi.org/10.1021/jp3084869\">10.1021/jp3084869</a>}, journal={The Journal of Physical Chemistry B}, author={Wiebeler, Christian and Tautz, Raphael and Feldmann, Jochen and von Hauff, Elizabeth and Da Como, Enrico and Schumacher, Stefan}, year={2012}, pages={4454–4460} }","short":"C. Wiebeler, R. Tautz, J. Feldmann, E. von Hauff, E. Da Como, S. Schumacher, The Journal of Physical Chemistry B (2012) 4454–4460."},"publication_identifier":{"issn":["1520-6106","1520-5207"]},"publication_status":"published","title":"Spectral Signatures of Polarons in Conjugated Co-polymers","doi":"10.1021/jp3084869","date_updated":"2025-12-05T14:56:05Z","date_created":"2020-02-10T12:02:58Z","author":[{"full_name":"Wiebeler, Christian","last_name":"Wiebeler","first_name":"Christian"},{"first_name":"Raphael","last_name":"Tautz","full_name":"Tautz, Raphael"},{"full_name":"Feldmann, Jochen","last_name":"Feldmann","first_name":"Jochen"},{"last_name":"von Hauff","full_name":"von Hauff, Elizabeth","first_name":"Elizabeth"},{"full_name":"Da Como, Enrico","last_name":"Da Como","first_name":"Enrico"},{"first_name":"Stefan","last_name":"Schumacher","orcid":"0000-0003-4042-4951","id":"27271","full_name":"Schumacher, Stefan"}],"status":"public","publication":"The Journal of Physical Chemistry B","type":"journal_article","language":[{"iso":"eng"}],"_id":"15869","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"297"},{"_id":"35"},{"_id":"230"}],"user_id":"16199"}]