[{"citation":{"short":"L. Burkhardt,   Probing Iron-Ligand Interactions by Combining Modern High-Resolution Hard X-Ray Spectroscopy and Density Functional Theory : A Powerful Methodology in Cases Where Conventional Methods Fail / Vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)], Paderborn, 2019.","chicago":"Burkhardt, Lukas. <i>  Probing Iron-Ligand Interactions by Combining Modern High-Resolution Hard X-Ray Spectroscopy and Density Functional Theory : A Powerful Methodology in Cases Where Conventional Methods Fail / Vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]</i>. Paderborn, 2019. <a href=\"https://doi.org/10.17619/UNIPB/1-745\">https://doi.org/10.17619/UNIPB/1-745</a>.","ieee":"L. Burkhardt, <i>  Probing Iron-Ligand interactions by combining modern high-resolution hard X-ray spectroscopy and density functional theory : a powerful methodology in cases where conventional methods fail / vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]</i>. Paderborn, 2019.","apa":"Burkhardt, L. (2019). <i>  Probing Iron-Ligand interactions by combining modern high-resolution hard X-ray spectroscopy and density functional theory : a powerful methodology in cases where conventional methods fail / vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]</i>. Paderborn. <a href=\"https://doi.org/10.17619/UNIPB/1-745\">https://doi.org/10.17619/UNIPB/1-745</a>","bibtex":"@book{Burkhardt_2019, place={Paderborn}, title={  Probing Iron-Ligand interactions by combining modern high-resolution hard X-ray spectroscopy and density functional theory : a powerful methodology in cases where conventional methods fail / vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]}, DOI={<a href=\"https://doi.org/10.17619/UNIPB/1-745\">10.17619/UNIPB/1-745</a>}, author={Burkhardt, Lukas}, year={2019} }","ama":"Burkhardt L. <i>  Probing Iron-Ligand Interactions by Combining Modern High-Resolution Hard X-Ray Spectroscopy and Density Functional Theory : A Powerful Methodology in Cases Where Conventional Methods Fail / Vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]</i>. Paderborn; 2019. doi:<a href=\"https://doi.org/10.17619/UNIPB/1-745\">10.17619/UNIPB/1-745</a>","mla":"Burkhardt, Lukas. <i>  Probing Iron-Ligand Interactions by Combining Modern High-Resolution Hard X-Ray Spectroscopy and Density Functional Theory : A Powerful Methodology in Cases Where Conventional Methods Fail / Vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]</i>. 2019, doi:<a href=\"https://doi.org/10.17619/UNIPB/1-745\">10.17619/UNIPB/1-745</a>."},"supervisor":[{"id":"47241","full_name":"Bauer, Matthias","first_name":"Matthias","last_name":"Bauer"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2020-03-23T11:08:22Z","place":"Paderborn","department":[{"_id":"43"},{"_id":"35"},{"_id":"306"}],"type":"dissertation","author":[{"last_name":"Burkhardt","first_name":"Lukas","orcid":"0000-0003-0747-9811","full_name":"Burkhardt, Lukas","id":"54038"}],"year":"2019","title":"\t Probing Iron-Ligand interactions by combining modern high-resolution hard X-ray spectroscopy and density functional theory : a powerful methodology in cases where conventional methods fail / vorgelegt von Lukas Burkhardt ; [Prof. Dr. Matthias Bauer (Erstgutachter), Prof. Dr. Thomas Kühne (Zweitgutachter), Jun. Prof. Dr. Stephan Hohloch (Drittprüfer)]","status":"public","publication_status":"published","date_updated":"2022-01-06T06:52:49Z","_id":"16325","language":[{"iso":"eng"}],"main_file_link":[{"url":"http://digital.ub.uni-paderborn.de/hs/content/titleinfo/3130461"}],"user_id":"54038","doi":"10.17619/UNIPB/1-745"},{"department":[{"_id":"43"},{"_id":"35"},{"_id":"306"},{"_id":"304"}],"type":"dissertation","date_created":"2020-03-23T11:10:56Z","place":"Paderborn","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"mla":"Müller, Patrick. <i>  Experimental and Theoretical (High Energy Resolution) X-Ray Absorption and Emission Spectroscopy / Vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]</i>. 2019, doi:<a href=\"https://doi.org/10.17619/UNIPB/1-705\">10.17619/UNIPB/1-705</a>.","ama":"Müller P. <i>  Experimental and Theoretical (High Energy Resolution) X-Ray Absorption and Emission Spectroscopy / Vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]</i>. Paderborn; 2019. doi:<a href=\"https://doi.org/10.17619/UNIPB/1-705\">10.17619/UNIPB/1-705</a>","bibtex":"@book{Müller_2019, place={Paderborn}, title={  Experimental and theoretical (high energy resolution) X-ray absorption and emission spectroscopy / vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]}, DOI={<a href=\"https://doi.org/10.17619/UNIPB/1-705\">10.17619/UNIPB/1-705</a>}, author={Müller, Patrick}, year={2019} }","apa":"Müller, P. (2019). <i>  Experimental and theoretical (high energy resolution) X-ray absorption and emission spectroscopy / vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]</i>. Paderborn. <a href=\"https://doi.org/10.17619/UNIPB/1-705\">https://doi.org/10.17619/UNIPB/1-705</a>","ieee":"P. Müller, <i>  Experimental and theoretical (high energy resolution) X-ray absorption and emission spectroscopy / vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]</i>. Paderborn, 2019.","chicago":"Müller, Patrick. <i>  Experimental and Theoretical (High Energy Resolution) X-Ray Absorption and Emission Spectroscopy / Vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]</i>. Paderborn, 2019. <a href=\"https://doi.org/10.17619/UNIPB/1-705\">https://doi.org/10.17619/UNIPB/1-705</a>.","short":"P. Müller,   Experimental and Theoretical (High Energy Resolution) X-Ray Absorption and Emission Spectroscopy / Vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt], Paderborn, 2019."},"supervisor":[{"last_name":"Bauer","first_name":"Matthias","full_name":"Bauer, Matthias","id":"47241"}],"user_id":"54038","doi":"10.17619/UNIPB/1-705","_id":"16327","language":[{"iso":"eng"}],"main_file_link":[{"url":"https://digital.ub.uni-paderborn.de/hs/id/3103462"}],"date_updated":"2022-01-06T06:52:49Z","author":[{"id":"54037","orcid":"0000-0003-1103-4073","last_name":"Müller","first_name":"Patrick","full_name":"Müller, Patrick"}],"year":"2019","status":"public","title":"\t Experimental and theoretical (high energy resolution) X-ray absorption and emission spectroscopy / vorgelegt von Patrick Müller ; [Promotionskommission: Prof. Dr.-Ing. Hans-Joachim Warnecke, Vorsitz; Prof. Dr. Matthias Bauer, Erstgutachter; Prof. Dr. Thomas D. Kühne, Zweitgutachter; Prof. Dr. Wolf Gero Schmidt]"},{"type":"journal_article","date_created":"2019-10-28T12:50:15Z","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"citation":{"apa":"Herres-Pawlis, S., Rittinghaus, R. D., Tremmel, J., Ruzicka, A., Conrads, C., Albrecht, P., … Jambor, R. (2019). Undiscovered potential: Ge catalysts for lactide polymerization. <i>Chemistry – A European Journal</i>. <a href=\"https://doi.org/10.1002/chem.201903949\">https://doi.org/10.1002/chem.201903949</a>","mla":"Herres-Pawlis, Sonja, et al. “Undiscovered Potential: Ge Catalysts for Lactide Polymerization.” <i>Chemistry – A European Journal</i>, 2019, doi:<a href=\"https://doi.org/10.1002/chem.201903949\">10.1002/chem.201903949</a>.","ieee":"S. Herres-Pawlis <i>et al.</i>, “Undiscovered potential: Ge catalysts for lactide polymerization,” <i>Chemistry – A European Journal</i>, 2019.","ama":"Herres-Pawlis S, Rittinghaus RD, Tremmel J, et al. Undiscovered potential: Ge catalysts for lactide polymerization. <i>Chemistry – A European Journal</i>. 2019. doi:<a href=\"https://doi.org/10.1002/chem.201903949\">10.1002/chem.201903949</a>","short":"S. Herres-Pawlis, R.D. Rittinghaus, J. Tremmel, A. Ruzicka, C. Conrads, P. Albrecht, A. Hoffmann, A. Ksiazkiewicz, A. Pich, R. Jambor, Chemistry – A European Journal (2019).","chicago":"Herres-Pawlis, Sonja, Ruth D. Rittinghaus, Jakub Tremmel, Ales Ruzicka, Christian Conrads, Pascal Albrecht, Alexander Hoffmann, Agnieszka Ksiazkiewicz, Andrij Pich, and Roman Jambor. “Undiscovered Potential: Ge Catalysts for Lactide Polymerization.” <i>Chemistry – A European Journal</i>, 2019. <a href=\"https://doi.org/10.1002/chem.201903949\">https://doi.org/10.1002/chem.201903949</a>.","bibtex":"@article{Herres-Pawlis_Rittinghaus_Tremmel_Ruzicka_Conrads_Albrecht_Hoffmann_Ksiazkiewicz_Pich_Jambor_2019, title={Undiscovered potential: Ge catalysts for lactide polymerization}, DOI={<a href=\"https://doi.org/10.1002/chem.201903949\">10.1002/chem.201903949</a>}, journal={Chemistry – A European Journal}, author={Herres-Pawlis, Sonja and Rittinghaus, Ruth D. and Tremmel, Jakub and Ruzicka, Ales and Conrads, Christian and Albrecht, Pascal and Hoffmann, Alexander and Ksiazkiewicz, Agnieszka and Pich, Andrij and Jambor, Roman}, year={2019} }"},"publication":"Chemistry – A European Journal","user_id":"40778","doi":"10.1002/chem.201903949","_id":"14020","language":[{"iso":"eng"}],"publication_status":"published","date_updated":"2022-01-06T06:51:52Z","publication_identifier":{"issn":["0947-6539","1521-3765"]},"author":[{"full_name":"Herres-Pawlis, Sonja","first_name":"Sonja","last_name":"Herres-Pawlis"},{"full_name":"Rittinghaus, Ruth D.","last_name":"Rittinghaus","first_name":"Ruth D."},{"first_name":"Jakub","last_name":"Tremmel","full_name":"Tremmel, Jakub"},{"full_name":"Ruzicka, Ales","last_name":"Ruzicka","first_name":"Ales"},{"full_name":"Conrads, Christian","last_name":"Conrads","first_name":"Christian"},{"last_name":"Albrecht","first_name":"Pascal","full_name":"Albrecht, Pascal"},{"first_name":"Alexander","last_name":"Hoffmann","full_name":"Hoffmann, Alexander"},{"full_name":"Ksiazkiewicz, Agnieszka","first_name":"Agnieszka","last_name":"Ksiazkiewicz"},{"first_name":"Andrij","last_name":"Pich","full_name":"Pich, Andrij"},{"last_name":"Jambor","first_name":"Roman","full_name":"Jambor, Roman"}],"title":"Undiscovered potential: Ge catalysts for lactide polymerization","status":"public","year":"2019"},{"publication":"The Journal of Physical Chemistry C","issue":"11","citation":{"short":"S.K. Peter, C. Kaulen, A. Hoffmann, W. Ogieglo, S. Karthäuser, M. Homberger, S. Herres-Pawlis, U. Simon, The Journal of Physical Chemistry C 123 (2019) 6537–6548.","chicago":"Peter, Sophia Katharina, Corinna Kaulen, Alexander Hoffmann, Wojciech Ogieglo, Silvia Karthäuser, Melanie Homberger, Sonja Herres-Pawlis, and Ulrich Simon. “Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces.” <i>The Journal of Physical Chemistry C</i> 123, no. 11 (2019): 6537–48. <a href=\"https://doi.org/10.1021/acs.jpcc.8b12039\">https://doi.org/10.1021/acs.jpcc.8b12039</a>.","ieee":"S. K. Peter <i>et al.</i>, “Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces,” <i>The Journal of Physical Chemistry C</i>, vol. 123, no. 11, pp. 6537–6548, 2019.","apa":"Peter, S. K., Kaulen, C., Hoffmann, A., Ogieglo, W., Karthäuser, S., Homberger, M., … Simon, U. (2019). Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces. <i>The Journal of Physical Chemistry C</i>, <i>123</i>(11), 6537–6548. <a href=\"https://doi.org/10.1021/acs.jpcc.8b12039\">https://doi.org/10.1021/acs.jpcc.8b12039</a>","bibtex":"@article{Peter_Kaulen_Hoffmann_Ogieglo_Karthäuser_Homberger_Herres-Pawlis_Simon_2019, title={Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces}, volume={123}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.8b12039\">10.1021/acs.jpcc.8b12039</a>}, number={11}, journal={The Journal of Physical Chemistry C}, author={Peter, Sophia Katharina and Kaulen, Corinna and Hoffmann, Alexander and Ogieglo, Wojciech and Karthäuser, Silvia and Homberger, Melanie and Herres-Pawlis, Sonja and Simon, Ulrich}, year={2019}, pages={6537–6548} }","ama":"Peter SK, Kaulen C, Hoffmann A, et al. Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces. <i>The Journal of Physical Chemistry C</i>. 2019;123(11):6537-6548. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.8b12039\">10.1021/acs.jpcc.8b12039</a>","mla":"Peter, Sophia Katharina, et al. “Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces.” <i>The Journal of Physical Chemistry C</i>, vol. 123, no. 11, 2019, pp. 6537–48, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.8b12039\">10.1021/acs.jpcc.8b12039</a>."},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2019-10-28T12:51:58Z","type":"journal_article","status":"public","year":"2019","title":"Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces","publication_identifier":{"issn":["1932-7447","1932-7455"]},"author":[{"first_name":"Sophia Katharina","last_name":"Peter","full_name":"Peter, Sophia Katharina"},{"full_name":"Kaulen, Corinna","first_name":"Corinna","last_name":"Kaulen"},{"full_name":"Hoffmann, Alexander","last_name":"Hoffmann","first_name":"Alexander"},{"last_name":"Ogieglo","first_name":"Wojciech","full_name":"Ogieglo, Wojciech"},{"full_name":"Karthäuser, Silvia","last_name":"Karthäuser","first_name":"Silvia"},{"full_name":"Homberger, Melanie","first_name":"Melanie","last_name":"Homberger"},{"full_name":"Herres-Pawlis, Sonja","last_name":"Herres-Pawlis","first_name":"Sonja"},{"first_name":"Ulrich","last_name":"Simon","full_name":"Simon, Ulrich"}],"publication_status":"published","date_updated":"2022-01-06T06:51:52Z","intvolume":"       123","page":"6537-6548","_id":"14021","language":[{"iso":"eng"}],"user_id":"40778","doi":"10.1021/acs.jpcc.8b12039","volume":123},{"volume":100,"doi":"10.1103/physrevb.100.140201","user_id":"40778","_id":"14033","language":[{"iso":"eng"}],"page":"140201","intvolume":"       100","date_updated":"2022-01-06T06:51:52Z","publication_status":"published","author":[{"full_name":"Klümper, A.","first_name":"A.","last_name":"Klümper"},{"last_name":"Nuding","first_name":"W.","full_name":"Nuding, W."},{"last_name":"Sedrakyan","first_name":"A.","full_name":"Sedrakyan, A."}],"publication_identifier":{"issn":["2469-9950","2469-9969"]},"status":"public","title":"Random network models with variable disorder of geometry","year":"2019","type":"journal_article","date_created":"2019-10-31T07:44:17Z","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"apa":"Klümper, A., Nuding, W., &#38; Sedrakyan, A. (2019). Random network models with variable disorder of geometry. <i>Physical Review B</i>, <i>100</i>, 140201. <a href=\"https://doi.org/10.1103/physrevb.100.140201\">https://doi.org/10.1103/physrevb.100.140201</a>","ieee":"A. Klümper, W. Nuding, and A. Sedrakyan, “Random network models with variable disorder of geometry,” <i>Physical Review B</i>, vol. 100, p. 140201, 2019.","short":"A. Klümper, W. Nuding, A. Sedrakyan, Physical Review B 100 (2019) 140201.","chicago":"Klümper, A., W. Nuding, and A. Sedrakyan. “Random Network Models with Variable Disorder of Geometry.” <i>Physical Review B</i> 100 (2019): 140201. <a href=\"https://doi.org/10.1103/physrevb.100.140201\">https://doi.org/10.1103/physrevb.100.140201</a>.","mla":"Klümper, A., et al. “Random Network Models with Variable Disorder of Geometry.” <i>Physical Review B</i>, vol. 100, 2019, p. 140201, doi:<a href=\"https://doi.org/10.1103/physrevb.100.140201\">10.1103/physrevb.100.140201</a>.","ama":"Klümper A, Nuding W, Sedrakyan A. Random network models with variable disorder of geometry. <i>Physical Review B</i>. 2019;100:140201. doi:<a href=\"https://doi.org/10.1103/physrevb.100.140201\">10.1103/physrevb.100.140201</a>","bibtex":"@article{Klümper_Nuding_Sedrakyan_2019, title={Random network models with variable disorder of geometry}, volume={100}, DOI={<a href=\"https://doi.org/10.1103/physrevb.100.140201\">10.1103/physrevb.100.140201</a>}, journal={Physical Review B}, author={Klümper, A. and Nuding, W. and Sedrakyan, A.}, year={2019}, pages={140201} }"},"publication":"Physical Review B"},{"department":[{"_id":"49"}],"type":"journal_article","date_created":"2019-09-05T15:39:28Z","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"quality_controlled":"1","citation":{"short":"L. Claes, L.M. Hülskämper, E. Baumhögger, N. Feldmann, R.S. Chatwell, J. Vrabec, B. Henning, Tm - Technisches Messen (2019) 2–6.","chicago":"Claes, Leander, Lars Moritz Hülskämper, Elmar Baumhögger, Nadine Feldmann, René Spencer Chatwell, Jadran Vrabec, and Bernd Henning. “Acoustic Absorption Measurement for the Determination of the Volume Viscosity of Pure Fluids / Messverfahren Für Die Akustischen Absorption Zur Bestimmung Der Volumenviskosität Reiner Fluide.” <i>Tm - Technisches Messen</i>, 2019, 2–6. <a href=\"https://doi.org/10.1515/teme-2019-0038\">https://doi.org/10.1515/teme-2019-0038</a>.","apa":"Claes, L., Hülskämper, L. M., Baumhögger, E., Feldmann, N., Chatwell, R. S., Vrabec, J., &#38; Henning, B. (2019). Acoustic absorption measurement for the determination of the volume viscosity of pure fluids / Messverfahren für die akustischen Absorption zur Bestimmung der Volumenviskosität reiner Fluide. <i>Tm - Technisches Messen</i>, 2–6. <a href=\"https://doi.org/10.1515/teme-2019-0038\">https://doi.org/10.1515/teme-2019-0038</a>","ieee":"L. Claes <i>et al.</i>, “Acoustic absorption measurement for the determination of the volume viscosity of pure fluids / Messverfahren für die akustischen Absorption zur Bestimmung der Volumenviskosität reiner Fluide,” <i>tm - Technisches Messen</i>, pp. 2–6, 2019.","ama":"Claes L, Hülskämper LM, Baumhögger E, et al. Acoustic absorption measurement for the determination of the volume viscosity of pure fluids / Messverfahren für die akustischen Absorption zur Bestimmung der Volumenviskosität reiner Fluide. <i>tm - Technisches Messen</i>. 2019:2-6. doi:<a href=\"https://doi.org/10.1515/teme-2019-0038\">10.1515/teme-2019-0038</a>","bibtex":"@article{Claes_Hülskämper_Baumhögger_Feldmann_Chatwell_Vrabec_Henning_2019, title={Acoustic absorption measurement for the determination of the volume viscosity of pure fluids / Messverfahren für die akustischen Absorption zur Bestimmung der Volumenviskosität reiner Fluide}, DOI={<a href=\"https://doi.org/10.1515/teme-2019-0038\">10.1515/teme-2019-0038</a>}, journal={tm - Technisches Messen}, author={Claes, Leander and Hülskämper, Lars Moritz and Baumhögger, Elmar and Feldmann, Nadine and Chatwell, René Spencer and Vrabec, Jadran and Henning, Bernd}, year={2019}, pages={2–6} }","mla":"Claes, Leander, et al. “Acoustic Absorption Measurement for the Determination of the Volume Viscosity of Pure Fluids / Messverfahren Für Die Akustischen Absorption Zur Bestimmung Der Volumenviskosität Reiner Fluide.” <i>Tm - Technisches Messen</i>, 2019, pp. 2–6, doi:<a href=\"https://doi.org/10.1515/teme-2019-0038\">10.1515/teme-2019-0038</a>."},"publication":"tm - Technisches Messen","user_id":"11829","doi":"10.1515/teme-2019-0038","_id":"13143","language":[{"iso":"eng"}],"page":"2-6","publication_status":"published","date_updated":"2022-01-06T06:51:29Z","publication_identifier":{"issn":["2196-7113","0171-8096"]},"author":[{"orcid":"0000-0002-4393-268X","first_name":"Leander","last_name":"Claes","full_name":"Claes, Leander","id":"11829"},{"first_name":"Lars Moritz","last_name":"Hülskämper","full_name":"Hülskämper, Lars Moritz"},{"full_name":"Baumhögger, Elmar","first_name":"Elmar","last_name":"Baumhögger","id":"15164"},{"full_name":"Feldmann, Nadine","last_name":"Feldmann","first_name":"Nadine","id":"23082"},{"first_name":"René Spencer","last_name":"Chatwell","full_name":"Chatwell, René Spencer"},{"first_name":"Jadran","last_name":"Vrabec","full_name":"Vrabec, Jadran"},{"id":"213","full_name":"Henning, Bernd","first_name":"Bernd","last_name":"Henning"}],"status":"public","title":"Acoustic absorption measurement for the determination of the volume viscosity of pure fluids / Messverfahren für die akustischen Absorption zur Bestimmung der Volumenviskosität reiner Fluide","year":"2019"},{"date_created":"2019-09-11T10:55:56Z","type":"journal_article","citation":{"ieee":"S. K. Peter <i>et al.</i>, “Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces,” <i>The Journal of Physical Chemistry C</i>, vol. 123, no. 11, pp. 6537–6548, 2019.","apa":"Peter, S. K., Kaulen, C., Hoffmann, A., Ogieglo, W., Karthäuser, S., Homberger, M., … Simon, U. (2019). Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces. <i>The Journal of Physical Chemistry C</i>, <i>123</i>(11), 6537–6548. <a href=\"https://doi.org/10.1021/acs.jpcc.8b12039\">https://doi.org/10.1021/acs.jpcc.8b12039</a>","mla":"Peter, Sophia Katharina, et al. “Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces.” <i>The Journal of Physical Chemistry C</i>, vol. 123, no. 11, 2019, pp. 6537–48, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.8b12039\">10.1021/acs.jpcc.8b12039</a>.","bibtex":"@article{Peter_Kaulen_Hoffmann_Ogieglo_Karthäuser_Homberger_Herres-Pawlis_Simon_2019, title={Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces}, volume={123}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.8b12039\">10.1021/acs.jpcc.8b12039</a>}, number={11}, journal={The Journal of Physical Chemistry C}, author={Peter, Sophia Katharina and Kaulen, Corinna and Hoffmann, Alexander and Ogieglo, Wojciech and Karthäuser, Silvia and Homberger, Melanie and Herres-Pawlis, Sonja and Simon, Ulrich}, year={2019}, pages={6537–6548} }","short":"S.K. Peter, C. Kaulen, A. Hoffmann, W. Ogieglo, S. Karthäuser, M. Homberger, S. Herres-Pawlis, U. Simon, The Journal of Physical Chemistry C 123 (2019) 6537–6548.","ama":"Peter SK, Kaulen C, Hoffmann A, et al. Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces. <i>The Journal of Physical Chemistry C</i>. 2019;123(11):6537-6548. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.8b12039\">10.1021/acs.jpcc.8b12039</a>","chicago":"Peter, Sophia Katharina, Corinna Kaulen, Alexander Hoffmann, Wojciech Ogieglo, Silvia Karthäuser, Melanie Homberger, Sonja Herres-Pawlis, and Ulrich Simon. “Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces.” <i>The Journal of Physical Chemistry C</i> 123, no. 11 (2019): 6537–48. <a href=\"https://doi.org/10.1021/acs.jpcc.8b12039\">https://doi.org/10.1021/acs.jpcc.8b12039</a>."},"issue":"11","publication":"The Journal of Physical Chemistry C","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"language":[{"iso":"eng"}],"_id":"13184","page":"6537-6548","volume":123,"user_id":"40778","doi":"10.1021/acs.jpcc.8b12039","author":[{"first_name":"Sophia Katharina","last_name":"Peter","full_name":"Peter, Sophia Katharina"},{"last_name":"Kaulen","first_name":"Corinna","full_name":"Kaulen, Corinna"},{"last_name":"Hoffmann","first_name":"Alexander","full_name":"Hoffmann, Alexander"},{"full_name":"Ogieglo, Wojciech","first_name":"Wojciech","last_name":"Ogieglo"},{"full_name":"Karthäuser, Silvia","last_name":"Karthäuser","first_name":"Silvia"},{"first_name":"Melanie","last_name":"Homberger","full_name":"Homberger, Melanie"},{"full_name":"Herres-Pawlis, Sonja","last_name":"Herres-Pawlis","first_name":"Sonja"},{"full_name":"Simon, Ulrich","last_name":"Simon","first_name":"Ulrich"}],"title":"Stepwise Growth of Ruthenium Terpyridine Complexes on Au Surfaces","year":"2019","status":"public","intvolume":"       123","date_updated":"2022-01-06T06:51:30Z"},{"type":"journal_article","keyword":["bioplastics","guanidines","iron","lactide","ring-opening polymerization"],"date_created":"2019-09-11T10:58:09Z","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"abstract":[{"text":"Abstract Polylactide is a biodegradable versatile material based on annually renewable resources and thus CO2-neutral in its lifecycle. Until now, tin(II)octanoate [Sn(Oct2)] was used as catalyst for the industrial ring-opening polymerization of lactide in spite of its cytotoxicity. On the way towards a sustainable catalyst, three iron(II) hybrid guanidine complexes were investigated concerning their molecular structure and applied to the ring-opening polymerization of lactide. The complexes could polymerize unpurified technical-grade rac-lactide as well as recrystallized l-lactide to long-chain polylactide in bulk with monomer/initiator ratios of more than 5000:1 in a controlled manner following the coordination–insertion mechanism. For the first time, a biocompatible complex has surpassed Sn(Oct)2 in its polymerization activity under industrially relevant conditions.","lang":"eng"}],"citation":{"apa":"Rittinghaus, R. D., Schäfer, P. M., Albrecht, P., Conrads, C., Hoffmann, A., Ksiazkiewicz, A. N., … Herres-Pawlis, S. (2019). New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts. <i>ChemSusChem</i>, <i>12</i>(10), 2161–2165. <a href=\"https://doi.org/10.1002/cssc.201900481\">https://doi.org/10.1002/cssc.201900481</a>","ieee":"R. D. Rittinghaus <i>et al.</i>, “New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts,” <i>ChemSusChem</i>, vol. 12, no. 10, pp. 2161–2165, 2019.","short":"R.D. Rittinghaus, P.M. Schäfer, P. Albrecht, C. Conrads, A. Hoffmann, A.N. Ksiazkiewicz, O. Bienemann, A. Pich, S. Herres-Pawlis, ChemSusChem 12 (2019) 2161–2165.","chicago":"Rittinghaus, Ruth D., Pascal M. Schäfer, Pascal Albrecht, Christian Conrads, Alexander Hoffmann, Agnieszka N. Ksiazkiewicz, Olga Bienemann, Andrij Pich, and Sonja Herres-Pawlis. “New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts.” <i>ChemSusChem</i> 12, no. 10 (2019): 2161–65. <a href=\"https://doi.org/10.1002/cssc.201900481\">https://doi.org/10.1002/cssc.201900481</a>.","mla":"Rittinghaus, Ruth D., et al. “New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts.” <i>ChemSusChem</i>, vol. 12, no. 10, 2019, pp. 2161–65, doi:<a href=\"https://doi.org/10.1002/cssc.201900481\">10.1002/cssc.201900481</a>.","ama":"Rittinghaus RD, Schäfer PM, Albrecht P, et al. New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts. <i>ChemSusChem</i>. 2019;12(10):2161-2165. doi:<a href=\"https://doi.org/10.1002/cssc.201900481\">10.1002/cssc.201900481</a>","bibtex":"@article{Rittinghaus_Schäfer_Albrecht_Conrads_Hoffmann_Ksiazkiewicz_Bienemann_Pich_Herres-Pawlis_2019, title={New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts}, volume={12}, DOI={<a href=\"https://doi.org/10.1002/cssc.201900481\">10.1002/cssc.201900481</a>}, number={10}, journal={ChemSusChem}, author={Rittinghaus, Ruth D. and Schäfer, Pascal M. and Albrecht, Pascal and Conrads, Christian and Hoffmann, Alexander and Ksiazkiewicz, Agnieszka N. and Bienemann, Olga and Pich, Andrij and Herres-Pawlis, Sonja}, year={2019}, pages={2161–2165} }"},"issue":"10","publication":"ChemSusChem","volume":12,"user_id":"40778","doi":"10.1002/cssc.201900481","language":[{"iso":"eng"}],"_id":"13185","page":"2161-2165","intvolume":"        12","date_updated":"2022-01-06T06:51:30Z","author":[{"first_name":"Ruth D.","last_name":"Rittinghaus","full_name":"Rittinghaus, Ruth D."},{"full_name":"Schäfer, Pascal M.","first_name":"Pascal M.","last_name":"Schäfer"},{"full_name":"Albrecht, Pascal","first_name":"Pascal","last_name":"Albrecht"},{"full_name":"Conrads, Christian","first_name":"Christian","last_name":"Conrads"},{"full_name":"Hoffmann, Alexander","last_name":"Hoffmann","first_name":"Alexander"},{"full_name":"Ksiazkiewicz, Agnieszka N.","first_name":"Agnieszka N.","last_name":"Ksiazkiewicz"},{"full_name":"Bienemann, Olga","last_name":"Bienemann","first_name":"Olga"},{"first_name":"Andrij","last_name":"Pich","full_name":"Pich, Andrij"},{"full_name":"Herres-Pawlis, Sonja","first_name":"Sonja","last_name":"Herres-Pawlis"}],"year":"2019","title":"New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts","status":"public"},{"status":"public","volume":13,"user_id":"71692","publisher":"John Wiley & Sons, Ltd","_id":"13211","page":"1800564","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"short":"T. Kodalle, R. Kormath Madam Raghupathy, T. Bertram, N. Maticiuc, H.A. Yetkin, R. Gunder, R. Schlatmann, T.D. Kühne, C.A. Kaufmann, H. Mirhosseini, Physica Status Solidi (RRL)--Rapid Research Letters 13 (2019) 1800564.","chicago":"Kodalle, Tim, Ramya Kormath Madam Raghupathy, Tobias Bertram, Natalia Maticiuc, Hasan A Yetkin, René Gunder, Rutger Schlatmann, Thomas D Kühne, Christian A Kaufmann, and Hossein Mirhosseini. “Properties of Co-Evaporated RbInSe2 Thin Films.” <i>Physica Status Solidi (RRL)--Rapid Research Letters</i> 13, no. 3 (2019): 1800564. <a href=\"https://doi.org/10.1002/pssr.201800564\">https://doi.org/10.1002/pssr.201800564</a>.","apa":"Kodalle, T., Kormath Madam Raghupathy, R., Bertram, T., Maticiuc, N., Yetkin, H. A., Gunder, R., … Mirhosseini, H. (2019). Properties of Co-Evaporated RbInSe2 Thin Films. <i>Physica Status Solidi (RRL)--Rapid Research Letters</i>, <i>13</i>(3), 1800564. <a href=\"https://doi.org/10.1002/pssr.201800564\">https://doi.org/10.1002/pssr.201800564</a>","ieee":"T. Kodalle <i>et al.</i>, “Properties of Co-Evaporated RbInSe2 Thin Films,” <i>physica status solidi (RRL)--Rapid Research Letters</i>, vol. 13, no. 3, p. 1800564, 2019.","ama":"Kodalle T, Kormath Madam Raghupathy R, Bertram T, et al. Properties of Co-Evaporated RbInSe2 Thin Films. <i>physica status solidi (RRL)--Rapid Research Letters</i>. 2019;13(3):1800564. doi:<a href=\"https://doi.org/10.1002/pssr.201800564\">10.1002/pssr.201800564</a>","bibtex":"@article{Kodalle_Kormath Madam Raghupathy_Bertram_Maticiuc_Yetkin_Gunder_Schlatmann_Kühne_Kaufmann_Mirhosseini_2019, title={Properties of Co-Evaporated RbInSe2 Thin Films}, volume={13}, DOI={<a href=\"https://doi.org/10.1002/pssr.201800564\">10.1002/pssr.201800564</a>}, number={3}, journal={physica status solidi (RRL)--Rapid Research Letters}, publisher={John Wiley &#38; Sons, Ltd}, author={Kodalle, Tim and Kormath Madam Raghupathy, Ramya and Bertram, Tobias and Maticiuc, Natalia and Yetkin, Hasan A and Gunder, René and Schlatmann, Rutger and Kühne, Thomas D and Kaufmann, Christian A and Mirhosseini, Hossein}, year={2019}, pages={1800564} }","mla":"Kodalle, Tim, et al. “Properties of Co-Evaporated RbInSe2 Thin Films.” <i>Physica Status Solidi (RRL)--Rapid Research Letters</i>, vol. 13, no. 3, John Wiley &#38; Sons, Ltd, 2019, p. 1800564, doi:<a href=\"https://doi.org/10.1002/pssr.201800564\">10.1002/pssr.201800564</a>."},"intvolume":"        13","date_updated":"2022-01-06T06:51:31Z","publication_status":"published","author":[{"first_name":"Tim","last_name":"Kodalle","full_name":"Kodalle, Tim"},{"full_name":"Kormath Madam Raghupathy, Ramya","last_name":"Kormath Madam Raghupathy","first_name":"Ramya","orcid":"https://orcid.org/0000-0003-4667-9744","id":"71692"},{"full_name":"Bertram, Tobias","first_name":"Tobias","last_name":"Bertram"},{"full_name":"Maticiuc, Natalia","first_name":"Natalia","last_name":"Maticiuc"},{"full_name":"Yetkin, Hasan A","first_name":"Hasan A","last_name":"Yetkin"},{"full_name":"Gunder, René","last_name":"Gunder","first_name":"René"},{"full_name":"Schlatmann, Rutger","last_name":"Schlatmann","first_name":"Rutger"},{"full_name":"Kühne, Thomas D","first_name":"Thomas D","last_name":"Kühne"},{"last_name":"Kaufmann","first_name":"Christian A","full_name":"Kaufmann, Christian A"},{"last_name":"Mirhosseini","first_name":"Hossein","orcid":"https://orcid.org/0000-0001-6179-1545","full_name":"Mirhosseini, Hossein","id":"71051"}],"year":"2019","title":"Properties of Co-Evaporated RbInSe2 Thin Films","doi":"10.1002/pssr.201800564","language":[{"iso":"eng"}],"issue":"3","publication":"physica status solidi (RRL)--Rapid Research Letters","department":[{"_id":"304"}],"type":"journal_article","date_created":"2019-09-13T12:53:03Z"},{"citation":{"apa":"Clark, T., Heske, J. J., &#38; Kühne, T. (2019). Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O. <i>ChemPhysChem</i>, <i>20</i>(0), 1–6. <a href=\"https://doi.org/10.1002/cphc.201900839\">https://doi.org/10.1002/cphc.201900839</a>","ieee":"T. Clark, J. J. Heske, and T. Kühne, “Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O,” <i>ChemPhysChem</i>, vol. 20, no. 0, pp. 1–6, 2019.","short":"T. Clark, J.J. Heske, T. Kühne, ChemPhysChem 20 (2019) 1–6.","chicago":"Clark, Timothy, Julian Joachim Heske, and Thomas Kühne. “Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O.” <i>ChemPhysChem</i> 20, no. 0 (2019): 1–6. <a href=\"https://doi.org/10.1002/cphc.201900839\">https://doi.org/10.1002/cphc.201900839</a>.","mla":"Clark, Timothy, et al. “Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O.” <i>ChemPhysChem</i>, vol. 20, no. 0, 2019, pp. 1–6, doi:<a href=\"https://doi.org/10.1002/cphc.201900839\">10.1002/cphc.201900839</a>.","ama":"Clark T, Heske JJ, Kühne T. Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O. <i>ChemPhysChem</i>. 2019;20(0):1-6. doi:<a href=\"https://doi.org/10.1002/cphc.201900839\">10.1002/cphc.201900839</a>","bibtex":"@article{Clark_Heske_Kühne_2019, title={Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O}, volume={20}, DOI={<a href=\"https://doi.org/10.1002/cphc.201900839\">10.1002/cphc.201900839</a>}, number={0}, journal={ChemPhysChem}, author={Clark, Timothy and Heske, Julian Joachim and Kühne, Thomas}, year={2019}, pages={1–6} }"},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"13225","page":"1-6","volume":20,"user_id":"71692","status":"public","date_created":"2019-09-13T13:41:57Z","department":[{"_id":"304"}],"type":"journal_article","keyword":["ab initio calculations","bond theory","hydrogen bonds","isotope effects","solvent effects"],"publication":"ChemPhysChem","issue":"0","abstract":[{"text":"Abstract The effect of extending the O−H bond length(s) in water on the hydrogen-bonding strength has been investigated using static ab initio molecular orbital calculations. The “polar flattening” effect that causes a slight σ-hole to form on hydrogen atoms is strengthened when the bond is stretched, so that the σ-hole becomes more positive and hydrogen bonding stronger. In opposition to this electronic effect, path-integral ab initio molecular-dynamics simulations show that the nuclear quantum effect weakens the hydrogen bond in the water dimer. Thus, static electronic effects strengthen the hydrogen bond in H2O relative to D2O, whereas nuclear quantum effects weaken it. These quantum fluctuations are stronger for the water dimer than in bulk water.","lang":"eng"}],"language":[{"iso":"eng"}],"doi":"10.1002/cphc.201900839","author":[{"last_name":"Clark","first_name":"Timothy","full_name":"Clark, Timothy"},{"first_name":"Julian Joachim","last_name":"Heske","full_name":"Heske, Julian Joachim","id":"53238"},{"full_name":"Kühne, Thomas","first_name":"Thomas","last_name":"Kühne","id":"49079"}],"year":"2019","title":"Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O","intvolume":"        20","publication_status":"published","date_updated":"2022-01-06T06:51:31Z"},{"user_id":"71692","doi":"10.1080/00268976.2019.1620358","volume":"0","page":"1-10","_id":"13232","language":[{"iso":"eng"}],"publisher":"Taylor & Francis","publication_status":"published","date_updated":"2022-01-06T06:51:31Z","year":"2019","title":"Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface","status":"public","author":[{"last_name":"Kaliannan","first_name":"Naveen Kumar ","full_name":"Kaliannan, Naveen Kumar "},{"full_name":"Henao Aristizabal, Andres","last_name":"Henao Aristizabal","first_name":"Andres"},{"full_name":"Wiebeler, Hendrik","first_name":"Hendrik","last_name":"Wiebeler"},{"full_name":"Zysk, Frederik","first_name":"Frederik","last_name":"Zysk"},{"first_name":"Tatsuhiko","last_name":"Ohto","full_name":"Ohto, Tatsuhiko"},{"last_name":"Nagata","first_name":"Yuki","full_name":"Nagata, Yuki"},{"last_name":"D. Kühne","first_name":"Thomas","full_name":"D. Kühne, Thomas"}],"type":"journal_article","department":[{"_id":"304"}],"date_created":"2019-09-16T10:26:49Z","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"issue":"0","publication":"Molecular Physics","citation":{"ieee":"N. K. Kaliannan <i>et al.</i>, “Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface,” <i>Molecular Physics</i>, vol. 0, no. 0, pp. 1–10, 2019.","apa":"Kaliannan, N. K., Henao Aristizabal, A., Wiebeler, H., Zysk, F., Ohto, T., Nagata, Y., &#38; D. Kühne, T. (2019). Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface. <i>Molecular Physics</i>, <i>0</i>(0), 1–10. <a href=\"https://doi.org/10.1080/00268976.2019.1620358\">https://doi.org/10.1080/00268976.2019.1620358</a>","chicago":"Kaliannan, Naveen Kumar , Andres Henao Aristizabal, Hendrik Wiebeler, Frederik Zysk, Tatsuhiko Ohto, Yuki Nagata, and Thomas D. Kühne. “Impact of Intermolecular Vibrational Coupling Effects on the Sum-Frequency Generation Spectra of the Water/Air Interface.” <i>Molecular Physics</i> 0, no. 0 (2019): 1–10. <a href=\"https://doi.org/10.1080/00268976.2019.1620358\">https://doi.org/10.1080/00268976.2019.1620358</a>.","short":"N.K. Kaliannan, A. Henao Aristizabal, H. Wiebeler, F. Zysk, T. Ohto, Y. Nagata, T. D. Kühne, Molecular Physics 0 (2019) 1–10.","mla":"Kaliannan, Naveen Kumar, et al. “Impact of Intermolecular Vibrational Coupling Effects on the Sum-Frequency Generation Spectra of the Water/Air Interface.” <i>Molecular Physics</i>, vol. 0, no. 0, Taylor &#38; Francis, 2019, pp. 1–10, doi:<a href=\"https://doi.org/10.1080/00268976.2019.1620358\">10.1080/00268976.2019.1620358</a>.","bibtex":"@article{Kaliannan_Henao Aristizabal_Wiebeler_Zysk_Ohto_Nagata_D. Kühne_2019, title={Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface}, volume={0}, DOI={<a href=\"https://doi.org/10.1080/00268976.2019.1620358\">10.1080/00268976.2019.1620358</a>}, number={0}, journal={Molecular Physics}, publisher={Taylor &#38; Francis}, author={Kaliannan, Naveen Kumar  and Henao Aristizabal, Andres and Wiebeler, Hendrik and Zysk, Frederik and Ohto, Tatsuhiko and Nagata, Yuki and D. Kühne, Thomas}, year={2019}, pages={1–10} }","ama":"Kaliannan NK, Henao Aristizabal A, Wiebeler H, et al. Impact of intermolecular vibrational coupling effects on the sum-frequency generation spectra of the water/air interface. <i>Molecular Physics</i>. 2019;0(0):1-10. doi:<a href=\"https://doi.org/10.1080/00268976.2019.1620358\">10.1080/00268976.2019.1620358</a>"}},{"author":[{"first_name":"Patrick","last_name":"Müller","full_name":"Müller, Patrick"},{"full_name":"Neuba, Adam","last_name":"Neuba","first_name":"Adam"},{"first_name":"Ulrich","last_name":"Flörke","full_name":"Flörke, Ulrich"},{"first_name":"Gerald","last_name":"Henkel","full_name":"Henkel, Gerald"},{"last_name":"Kühne","first_name":"Thomas D.","full_name":"Kühne, Thomas D."},{"full_name":"Bauer, Matthias","first_name":"Matthias","last_name":"Bauer"}],"year":"2019","title":"Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes","intvolume":"       123","date_updated":"2022-01-06T06:51:31Z","publication_status":"published","language":[{"iso":"eng"}],"doi":"10.1021/acs.jpca.9b00463","publication":"The Journal of Physical Chemistry A","issue":"16","date_created":"2019-09-16T10:32:41Z","department":[{"_id":"304"}],"type":"journal_article","status":"public","_id":"13233","page":"3575-3581","volume":123,"user_id":"71692","citation":{"apa":"Müller, P., Neuba, A., Flörke, U., Henkel, G., Kühne, T. D., &#38; Bauer, M. (2019). Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes. <i>The Journal of Physical Chemistry A</i>, <i>123</i>(16), 3575–3581. <a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">https://doi.org/10.1021/acs.jpca.9b00463</a>","ieee":"P. Müller, A. Neuba, U. Flörke, G. Henkel, T. D. Kühne, and M. Bauer, “Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes,” <i>The Journal of Physical Chemistry A</i>, vol. 123, no. 16, pp. 3575–3581, 2019.","chicago":"Müller, Patrick, Adam Neuba, Ulrich Flörke, Gerald Henkel, Thomas D. Kühne, and Matthias Bauer. “Experimental and Theoretical High Energy Resolution Hard X-Ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes.” <i>The Journal of Physical Chemistry A</i> 123, no. 16 (2019): 3575–81. <a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">https://doi.org/10.1021/acs.jpca.9b00463</a>.","short":"P. Müller, A. Neuba, U. Flörke, G. Henkel, T.D. Kühne, M. Bauer, The Journal of Physical Chemistry A 123 (2019) 3575–3581.","mla":"Müller, Patrick, et al. “Experimental and Theoretical High Energy Resolution Hard X-Ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes.” <i>The Journal of Physical Chemistry A</i>, vol. 123, no. 16, 2019, pp. 3575–81, doi:<a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">10.1021/acs.jpca.9b00463</a>.","ama":"Müller P, Neuba A, Flörke U, Henkel G, Kühne TD, Bauer M. Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes. <i>The Journal of Physical Chemistry A</i>. 2019;123(16):3575-3581. doi:<a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">10.1021/acs.jpca.9b00463</a>","bibtex":"@article{Müller_Neuba_Flörke_Henkel_Kühne_Bauer_2019, title={Experimental and Theoretical High Energy Resolution Hard X-ray Absorption and Emission Spectroscopy on Biomimetic Cu2S2 Complexes}, volume={123}, DOI={<a href=\"https://doi.org/10.1021/acs.jpca.9b00463\">10.1021/acs.jpca.9b00463</a>}, number={16}, journal={The Journal of Physical Chemistry A}, author={Müller, Patrick and Neuba, Adam and Flörke, Ulrich and Henkel, Gerald and Kühne, Thomas D. and Bauer, Matthias}, year={2019}, pages={3575–3581} }"},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}]},{"publication_status":"published","date_updated":"2022-01-06T06:51:31Z","year":"2019","title":"Controlling the strength of interaction between carbon dioxide and nitrogen-rich carbon materials by molecular design","status":"public","author":[{"last_name":"Walczak","first_name":"Ralf","full_name":"Walczak, Ralf"},{"last_name":"Savateev","first_name":"Aleksandr","full_name":"Savateev, Aleksandr"},{"first_name":"Julian Joachim","last_name":"Heske","full_name":"Heske, Julian Joachim","id":"53238"},{"first_name":"Nadezda V.","last_name":"Tarakina","full_name":"Tarakina, Nadezda V."},{"full_name":"Sahoo, Sudhir","last_name":"Sahoo","first_name":"Sudhir"},{"first_name":"Jan D.","last_name":"Epping","full_name":"Epping, Jan D."},{"id":"49079","first_name":"Thomas","last_name":"Kühne","full_name":"Kühne, Thomas"},{"last_name":"Kurpil","first_name":"Bogdan","full_name":"Kurpil, Bogdan"},{"full_name":"Antonietti, Markus","first_name":"Markus","last_name":"Antonietti"},{"last_name":"Oschatz","first_name":"Martin","full_name":"Oschatz, Martin"}],"user_id":"71692","doi":"10.1039/C9SE00486F","page":"-","_id":"13236","language":[{"iso":"eng"}],"publisher":"The Royal Society of Chemistry","abstract":[{"text":"Thermal treatment of hexaazatriphenylene-hexacarbonitrile (HAT-CN) in the temperature range from 500 °C to 700 °C leads to precise control over the degree of condensation{,} and thus atomic construction and porosity of the resulting C2N-type materials. Depending on the condensation temperature of HAT-CN{,} nitrogen contents of more than 30 at% can be reached. In general{,} these carbons show adsorption properties which are comparable to those known for zeolites but their pore size can be adjusted over a wider range. At condensation temperatures of 525 °C and below{,} the uptake of nitrogen gas remains negligible due to size exclusion{,} but the internal pores are large and polarizing enough that CO2 can still adsorb on part of the internal surface. This leads to surprisingly high CO2 adsorption capacities and isosteric heat of adsorption of up to 52 kJ mol−1. Theoretical calculations show that this high binding enthalpy arises from collective stabilization effects from the nitrogen atoms in the C2N layers surrounding the carbon atom in the CO2 molecule and from the electron acceptor properties of the carbon atoms from C2N which are in close proximity to the oxygen atoms in CO2. A true CO2 molecular sieving effect is achieved for the first time in such a metal-free organic material with zeolite-like properties{,} showing an IAST CO2/N2 selectivity of up to 121 at 298 K and a N2/CO2 ratio of 90/10 without notable changes in the CO2 adsorption properities over 80 cycles.","lang":"eng"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"publication":"Sustainable Energy Fuels","citation":{"mla":"Walczak, Ralf, et al. “Controlling the Strength of Interaction between Carbon Dioxide and Nitrogen-Rich Carbon Materials by Molecular Design.” <i>Sustainable Energy Fuels</i>, The Royal Society of Chemistry, 2019, doi:<a href=\"https://doi.org/10.1039/C9SE00486F\">10.1039/C9SE00486F</a>.","bibtex":"@article{Walczak_Savateev_Heske_Tarakina_Sahoo_Epping_Kühne_Kurpil_Antonietti_Oschatz_2019, title={Controlling the strength of interaction between carbon dioxide and nitrogen-rich carbon materials by molecular design}, DOI={<a href=\"https://doi.org/10.1039/C9SE00486F\">10.1039/C9SE00486F</a>}, journal={Sustainable Energy Fuels}, publisher={The Royal Society of Chemistry}, author={Walczak, Ralf and Savateev, Aleksandr and Heske, Julian Joachim and Tarakina, Nadezda V. and Sahoo, Sudhir and Epping, Jan D. and Kühne, Thomas and Kurpil, Bogdan and Antonietti, Markus and Oschatz, Martin}, year={2019} }","ama":"Walczak R, Savateev A, Heske JJ, et al. Controlling the strength of interaction between carbon dioxide and nitrogen-rich carbon materials by molecular design. <i>Sustainable Energy Fuels</i>. 2019. doi:<a href=\"https://doi.org/10.1039/C9SE00486F\">10.1039/C9SE00486F</a>","ieee":"R. Walczak <i>et al.</i>, “Controlling the strength of interaction between carbon dioxide and nitrogen-rich carbon materials by molecular design,” <i>Sustainable Energy Fuels</i>, 2019.","apa":"Walczak, R., Savateev, A., Heske, J. J., Tarakina, N. V., Sahoo, S., Epping, J. D., … Oschatz, M. (2019). Controlling the strength of interaction between carbon dioxide and nitrogen-rich carbon materials by molecular design. <i>Sustainable Energy Fuels</i>. <a href=\"https://doi.org/10.1039/C9SE00486F\">https://doi.org/10.1039/C9SE00486F</a>","chicago":"Walczak, Ralf, Aleksandr Savateev, Julian Joachim Heske, Nadezda V. Tarakina, Sudhir Sahoo, Jan D. Epping, Thomas Kühne, Bogdan Kurpil, Markus Antonietti, and Martin Oschatz. “Controlling the Strength of Interaction between Carbon Dioxide and Nitrogen-Rich Carbon Materials by Molecular Design.” <i>Sustainable Energy Fuels</i>, 2019. <a href=\"https://doi.org/10.1039/C9SE00486F\">https://doi.org/10.1039/C9SE00486F</a>.","short":"R. Walczak, A. Savateev, J.J. Heske, N.V. Tarakina, S. Sahoo, J.D. Epping, T. Kühne, B. Kurpil, M. Antonietti, M. Oschatz, Sustainable Energy Fuels (2019)."},"type":"journal_article","department":[{"_id":"304"}],"date_created":"2019-09-16T10:39:25Z"},{"date_updated":"2022-01-06T06:51:31Z","publication_status":"published","year":"2019","title":"Enhancement of the asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse","status":"public","author":[{"full_name":"Elgabarty, Hossam","first_name":"Hossam","last_name":"Elgabarty"},{"full_name":"Kaliannan, Naveen Kumar","first_name":"Naveen Kumar","last_name":"Kaliannan"},{"last_name":"Kühne","first_name":"Thomas D.","full_name":"Kühne, Thomas D."}],"doi":"10.1038/s41598-019-46449-5","user_id":"71692","volume":" 9","page":"10002","language":[{"iso":"eng"}],"_id":"13237","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"publication":"Scientific Reports","citation":{"apa":"Elgabarty, H., Kaliannan, N. K., &#38; Kühne, T. D. (2019). Enhancement of the asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse. <i>Scientific Reports</i>, <i>9</i>, 10002. <a href=\"https://doi.org/10.1038/s41598-019-46449-5\">https://doi.org/10.1038/s41598-019-46449-5</a>","ieee":"H. Elgabarty, N. K. Kaliannan, and T. D. Kühne, “Enhancement of the asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse,” <i>Scientific Reports</i>, vol. 9, p. 10002, 2019.","short":"H. Elgabarty, N.K. Kaliannan, T.D. Kühne, Scientific Reports 9 (2019) 10002.","chicago":"Elgabarty, Hossam, Naveen Kumar Kaliannan, and Thomas D. Kühne. “Enhancement of the Asymmetry in the Hydrogen Bond Network of Liquid Water by an Ultrafast Electric Field Pulse.” <i>Scientific Reports</i> 9 (2019): 10002. <a href=\"https://doi.org/10.1038/s41598-019-46449-5\">https://doi.org/10.1038/s41598-019-46449-5</a>.","mla":"Elgabarty, Hossam, et al. “Enhancement of the Asymmetry in the Hydrogen Bond Network of Liquid Water by an Ultrafast Electric Field Pulse.” <i>Scientific Reports</i>, vol. 9, 2019, p. 10002, doi:<a href=\"https://doi.org/10.1038/s41598-019-46449-5\">10.1038/s41598-019-46449-5</a>.","ama":"Elgabarty H, Kaliannan NK, Kühne TD. Enhancement of the asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse. <i>Scientific Reports</i>. 2019;9:10002. doi:<a href=\"https://doi.org/10.1038/s41598-019-46449-5\">10.1038/s41598-019-46449-5</a>","bibtex":"@article{Elgabarty_Kaliannan_Kühne_2019, title={Enhancement of the asymmetry in the hydrogen bond network of liquid water by an ultrafast electric field pulse}, volume={9}, DOI={<a href=\"https://doi.org/10.1038/s41598-019-46449-5\">10.1038/s41598-019-46449-5</a>}, journal={Scientific Reports}, author={Elgabarty, Hossam and Kaliannan, Naveen Kumar and Kühne, Thomas D.}, year={2019}, pages={10002} }"},"type":"journal_article","department":[{"_id":"304"}],"date_created":"2019-09-16T10:48:03Z"},{"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"mla":"Tanaka, Shunji, et al. “A Branch and Bound Approach for Large Pre-Marshalling Problems.” <i>European Journal of Operational Research</i>, 2019, pp. 211–25, doi:<a href=\"https://doi.org/10.1016/j.ejor.2019.04.005\">10.1016/j.ejor.2019.04.005</a>.","ama":"Tanaka S, Tierney K, Parreño-Torres C, Alvarez-Valdes R, Ruiz R. A Branch and Bound Approach for Large Pre-Marshalling Problems. <i>European Journal of Operational Research</i>. 2019:211-225. doi:<a href=\"https://doi.org/10.1016/j.ejor.2019.04.005\">10.1016/j.ejor.2019.04.005</a>","bibtex":"@article{Tanaka_Tierney_Parreño-Torres_Alvarez-Valdes_Ruiz_2019, title={A Branch and Bound Approach for Large Pre-Marshalling Problems}, DOI={<a href=\"https://doi.org/10.1016/j.ejor.2019.04.005\">10.1016/j.ejor.2019.04.005</a>}, journal={European Journal of Operational Research}, author={Tanaka, Shunji and Tierney, Kevin and Parreño-Torres, Consuelo and Alvarez-Valdes, Ramon and Ruiz, Rubén}, year={2019}, pages={211–225} }","apa":"Tanaka, S., Tierney, K., Parreño-Torres, C., Alvarez-Valdes, R., &#38; Ruiz, R. (2019). A Branch and Bound Approach for Large Pre-Marshalling Problems. <i>European Journal of Operational Research</i>, 211–225. <a href=\"https://doi.org/10.1016/j.ejor.2019.04.005\">https://doi.org/10.1016/j.ejor.2019.04.005</a>","ieee":"S. Tanaka, K. Tierney, C. Parreño-Torres, R. Alvarez-Valdes, and R. Ruiz, “A Branch and Bound Approach for Large Pre-Marshalling Problems,” <i>European Journal of Operational Research</i>, pp. 211–225, 2019.","short":"S. Tanaka, K. Tierney, C. Parreño-Torres, R. Alvarez-Valdes, R. Ruiz, European Journal of Operational Research (2019) 211–225.","chicago":"Tanaka, Shunji, Kevin Tierney, Consuelo Parreño-Torres, Ramon Alvarez-Valdes, and Rubén Ruiz. “A Branch and Bound Approach for Large Pre-Marshalling Problems.” <i>European Journal of Operational Research</i>, 2019, 211–25. <a href=\"https://doi.org/10.1016/j.ejor.2019.04.005\">https://doi.org/10.1016/j.ejor.2019.04.005</a>."},"publication":"European Journal of Operational Research","type":"journal_article","date_created":"2019-09-17T13:34:33Z","publication_status":"published","date_updated":"2022-01-06T06:51:31Z","publication_identifier":{"issn":["0377-2217"]},"author":[{"full_name":"Tanaka, Shunji","first_name":"Shunji","last_name":"Tanaka"},{"full_name":"Tierney, Kevin","first_name":"Kevin","last_name":"Tierney"},{"full_name":"Parreño-Torres, Consuelo","last_name":"Parreño-Torres","first_name":"Consuelo"},{"first_name":"Ramon","last_name":"Alvarez-Valdes","full_name":"Alvarez-Valdes, Ramon"},{"last_name":"Ruiz","first_name":"Rubén","full_name":"Ruiz, Rubén"}],"title":"A Branch and Bound Approach for Large Pre-Marshalling Problems","year":"2019","status":"public","user_id":"40778","doi":"10.1016/j.ejor.2019.04.005","_id":"13247","language":[{"iso":"eng"}],"page":"211-225"},{"place":"Cham","date_created":"2019-09-17T13:39:32Z","type":"conference","publication":"Learning and Intelligent Optimization","citation":{"bibtex":"@inproceedings{Ansótegui_Heymann_Pon_Sellmann_Tierney_2019, place={Cham}, title={Hyper-Reactive Tabu Search for MaxSAT}, DOI={<a href=\"https://doi.org/10.1007/978-3-030-05348-2_27\">10.1007/978-3-030-05348-2_27</a>}, booktitle={Learning and Intelligent Optimization}, publisher={Springer International Publishing}, author={Ansótegui, Carlos and Heymann, Britta and Pon, Josep and Sellmann, Meinolf and Tierney, Kevin}, year={2019}, pages={309–325} }","ama":"Ansótegui C, Heymann B, Pon J, Sellmann M, Tierney K. Hyper-Reactive Tabu Search for MaxSAT. In: <i>Learning and Intelligent Optimization</i>. Cham: Springer International Publishing; 2019:309-325. doi:<a href=\"https://doi.org/10.1007/978-3-030-05348-2_27\">10.1007/978-3-030-05348-2_27</a>","mla":"Ansótegui, Carlos, et al. “Hyper-Reactive Tabu Search for MaxSAT.” <i>Learning and Intelligent Optimization</i>, Springer International Publishing, 2019, pp. 309–25, doi:<a href=\"https://doi.org/10.1007/978-3-030-05348-2_27\">10.1007/978-3-030-05348-2_27</a>.","chicago":"Ansótegui, Carlos, Britta Heymann, Josep Pon, Meinolf Sellmann, and Kevin Tierney. “Hyper-Reactive Tabu Search for MaxSAT.” In <i>Learning and Intelligent Optimization</i>, 309–25. Cham: Springer International Publishing, 2019. <a href=\"https://doi.org/10.1007/978-3-030-05348-2_27\">https://doi.org/10.1007/978-3-030-05348-2_27</a>.","short":"C. Ansótegui, B. Heymann, J. Pon, M. Sellmann, K. Tierney, in: Learning and Intelligent Optimization, Springer International Publishing, Cham, 2019, pp. 309–325.","ieee":"C. Ansótegui, B. Heymann, J. Pon, M. Sellmann, and K. Tierney, “Hyper-Reactive Tabu Search for MaxSAT,” in <i>Learning and Intelligent Optimization</i>, 2019, pp. 309–325.","apa":"Ansótegui, C., Heymann, B., Pon, J., Sellmann, M., &#38; Tierney, K. (2019). Hyper-Reactive Tabu Search for MaxSAT. In <i>Learning and Intelligent Optimization</i> (pp. 309–325). Cham: Springer International Publishing. <a href=\"https://doi.org/10.1007/978-3-030-05348-2_27\">https://doi.org/10.1007/978-3-030-05348-2_27</a>"},"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"page":"309-325","publisher":"Springer International Publishing","_id":"13250","language":[{"iso":"eng"}],"doi":"10.1007/978-3-030-05348-2_27","user_id":"40778","status":"public","title":"Hyper-Reactive Tabu Search for MaxSAT","year":"2019","conference":{"name":"International Conference on Learning and Intelligent Optimization"},"publication_identifier":{"isbn":["978-3-030-05347-5"]},"author":[{"full_name":"Ansótegui, Carlos","first_name":"Carlos","last_name":"Ansótegui"},{"full_name":"Heymann, Britta","first_name":"Britta","last_name":"Heymann"},{"full_name":"Pon, Josep","first_name":"Josep","last_name":"Pon"},{"full_name":"Sellmann, Meinolf","last_name":"Sellmann","first_name":"Meinolf"},{"first_name":"Kevin","last_name":"Tierney","full_name":"Tierney, Kevin"}],"date_updated":"2022-01-06T06:51:31Z"},{"date_created":"2019-09-18T08:09:16Z","type":"journal_article","citation":{"chicago":"Guevara-Carrion, Gabriela, Sergiy Ancherbak, Aliaksandr Mialdun, Jadran Vrabec, and Valentina Shevtsova. “Diffusion of Methane in Supercritical Carbon Dioxide Across the Widom Line.” <i>Scientific Reports</i> 9 (2019). <a href=\"https://doi.org/10.1038/s41598-019-44687-1\">https://doi.org/10.1038/s41598-019-44687-1</a>.","short":"G. Guevara-Carrion, S. Ancherbak, A. Mialdun, J. Vrabec, V. Shevtsova, Scientific Reports 9 (2019).","apa":"Guevara-Carrion, G., Ancherbak, S., Mialdun, A., Vrabec, J., &#38; Shevtsova, V. (2019). Diffusion of Methane in Supercritical Carbon Dioxide Across the Widom Line. <i>Scientific Reports</i>, <i>9</i>. <a href=\"https://doi.org/10.1038/s41598-019-44687-1\">https://doi.org/10.1038/s41598-019-44687-1</a>","ieee":"G. Guevara-Carrion, S. Ancherbak, A. Mialdun, J. Vrabec, and V. Shevtsova, “Diffusion of Methane in Supercritical Carbon Dioxide Across the Widom Line,” <i>Scientific Reports</i>, vol. 9, 2019.","ama":"Guevara-Carrion G, Ancherbak S, Mialdun A, Vrabec J, Shevtsova V. Diffusion of Methane in Supercritical Carbon Dioxide Across the Widom Line. <i>Scientific Reports</i>. 2019;9. doi:<a href=\"https://doi.org/10.1038/s41598-019-44687-1\">10.1038/s41598-019-44687-1</a>","bibtex":"@article{Guevara-Carrion_Ancherbak_Mialdun_Vrabec_Shevtsova_2019, title={Diffusion of Methane in Supercritical Carbon Dioxide Across the Widom Line}, volume={9}, DOI={<a href=\"https://doi.org/10.1038/s41598-019-44687-1\">10.1038/s41598-019-44687-1</a>}, number={8466}, journal={Scientific Reports}, author={Guevara-Carrion, Gabriela and Ancherbak, Sergiy and Mialdun, Aliaksandr and Vrabec, Jadran and Shevtsova, Valentina}, year={2019} }","mla":"Guevara-Carrion, Gabriela, et al. “Diffusion of Methane in Supercritical Carbon Dioxide Across the Widom Line.” <i>Scientific Reports</i>, vol. 9, 8466, 2019, doi:<a href=\"https://doi.org/10.1038/s41598-019-44687-1\">10.1038/s41598-019-44687-1</a>."},"publication":"Scientific Reports","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"_id":"13270","language":[{"iso":"eng"}],"article_number":"8466","volume":9,"doi":"10.1038/s41598-019-44687-1","user_id":"40778","publication_identifier":{"issn":["2045-2322"]},"author":[{"first_name":"Gabriela","last_name":"Guevara-Carrion","full_name":"Guevara-Carrion, Gabriela"},{"first_name":"Sergiy","last_name":"Ancherbak","full_name":"Ancherbak, Sergiy"},{"full_name":"Mialdun, Aliaksandr","first_name":"Aliaksandr","last_name":"Mialdun"},{"last_name":"Vrabec","first_name":"Jadran","full_name":"Vrabec, Jadran"},{"full_name":"Shevtsova, Valentina","last_name":"Shevtsova","first_name":"Valentina"}],"status":"public","title":"Diffusion of Methane in Supercritical Carbon Dioxide Across the Widom Line","year":"2019","intvolume":"         9","date_updated":"2022-01-06T06:51:31Z","publication_status":"published"},{"date_created":"2019-09-18T08:41:24Z","type":"journal_article","publication":"International Journal of Heat and Mass Transfer","citation":{"bibtex":"@article{Chatwell_Heinen_Vrabec_2019, title={Diffusion Limited Evaporation of a Binary Liquid Film}, volume={132}, DOI={<a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2018.12.030\">10.1016/j.ijheatmasstransfer.2018.12.030</a>}, journal={International Journal of Heat and Mass Transfer}, author={Chatwell, René Spencer and Heinen, Matthias and Vrabec, Jadran}, year={2019}, pages={1296–1305} }","ama":"Chatwell RS, Heinen M, Vrabec J. Diffusion Limited Evaporation of a Binary Liquid Film. <i>International Journal of Heat and Mass Transfer</i>. 2019;132:1296-1305. doi:<a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2018.12.030\">10.1016/j.ijheatmasstransfer.2018.12.030</a>","mla":"Chatwell, René Spencer, et al. “Diffusion Limited Evaporation of a Binary Liquid Film.” <i>International Journal of Heat and Mass Transfer</i>, vol. 132, 2019, pp. 1296–305, doi:<a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2018.12.030\">10.1016/j.ijheatmasstransfer.2018.12.030</a>.","short":"R.S. Chatwell, M. Heinen, J. Vrabec, International Journal of Heat and Mass Transfer 132 (2019) 1296–1305.","chicago":"Chatwell, René Spencer, Matthias Heinen, and Jadran Vrabec. “Diffusion Limited Evaporation of a Binary Liquid Film.” <i>International Journal of Heat and Mass Transfer</i> 132 (2019): 1296–1305. <a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2018.12.030\">https://doi.org/10.1016/j.ijheatmasstransfer.2018.12.030</a>.","ieee":"R. S. Chatwell, M. Heinen, and J. Vrabec, “Diffusion Limited Evaporation of a Binary Liquid Film,” <i>International Journal of Heat and Mass Transfer</i>, vol. 132, pp. 1296–1305, 2019.","apa":"Chatwell, R. S., Heinen, M., &#38; Vrabec, J. (2019). Diffusion Limited Evaporation of a Binary Liquid Film. <i>International Journal of Heat and Mass Transfer</i>, <i>132</i>, 1296–1305. <a href=\"https://doi.org/10.1016/j.ijheatmasstransfer.2018.12.030\">https://doi.org/10.1016/j.ijheatmasstransfer.2018.12.030</a>"},"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"page":"1296-1305","language":[{"iso":"eng"}],"_id":"13273","user_id":"40778","doi":"10.1016/j.ijheatmasstransfer.2018.12.030","volume":132,"year":"2019","status":"public","title":"Diffusion Limited Evaporation of a Binary Liquid Film","publication_identifier":{"issn":["0017-9310"]},"author":[{"last_name":"Chatwell","first_name":"René Spencer","full_name":"Chatwell, René Spencer"},{"first_name":"Matthias","last_name":"Heinen","full_name":"Heinen, Matthias"},{"first_name":"Jadran","last_name":"Vrabec","full_name":"Vrabec, Jadran"}],"publication_status":"published","date_updated":"2022-01-06T06:51:31Z","intvolume":"       132"},{"citation":{"mla":"Fingerhut, Robin, and Jadran Vrabec. “Kirkwood-Buff Integration: A Promising Route to Entropic Properties?” <i>Fluid Phase Equilibria</i>, 2019, pp. 270–81, doi:<a href=\"https://doi.org/10.1016/j.fluid.2018.12.015\">10.1016/j.fluid.2018.12.015</a>.","ama":"Fingerhut R, Vrabec J. Kirkwood-Buff Integration: A Promising Route to Entropic Properties? <i>Fluid Phase Equilibria</i>. 2019:270-281. doi:<a href=\"https://doi.org/10.1016/j.fluid.2018.12.015\">10.1016/j.fluid.2018.12.015</a>","bibtex":"@article{Fingerhut_Vrabec_2019, title={Kirkwood-Buff Integration: A Promising Route to Entropic Properties?}, DOI={<a href=\"https://doi.org/10.1016/j.fluid.2018.12.015\">10.1016/j.fluid.2018.12.015</a>}, journal={Fluid Phase Equilibria}, author={Fingerhut, Robin and Vrabec, Jadran}, year={2019}, pages={270–281} }","apa":"Fingerhut, R., &#38; Vrabec, J. (2019). Kirkwood-Buff Integration: A Promising Route to Entropic Properties? <i>Fluid Phase Equilibria</i>, 270–281. <a href=\"https://doi.org/10.1016/j.fluid.2018.12.015\">https://doi.org/10.1016/j.fluid.2018.12.015</a>","ieee":"R. Fingerhut and J. Vrabec, “Kirkwood-Buff Integration: A Promising Route to Entropic Properties?,” <i>Fluid Phase Equilibria</i>, pp. 270–281, 2019.","chicago":"Fingerhut, Robin, and Jadran Vrabec. “Kirkwood-Buff Integration: A Promising Route to Entropic Properties?” <i>Fluid Phase Equilibria</i>, 2019, 270–81. <a href=\"https://doi.org/10.1016/j.fluid.2018.12.015\">https://doi.org/10.1016/j.fluid.2018.12.015</a>.","short":"R. Fingerhut, J. Vrabec, Fluid Phase Equilibria (2019) 270–281."},"publication":"Fluid Phase Equilibria","project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"}],"date_created":"2019-09-18T08:43:02Z","type":"journal_article","publication_identifier":{"issn":["0378-3812"]},"author":[{"last_name":"Fingerhut","first_name":"Robin","full_name":"Fingerhut, Robin"},{"full_name":"Vrabec, Jadran","last_name":"Vrabec","first_name":"Jadran"}],"year":"2019","status":"public","title":"Kirkwood-Buff Integration: A Promising Route to Entropic Properties?","publication_status":"published","date_updated":"2022-01-06T06:51:31Z","language":[{"iso":"eng"}],"_id":"13274","page":"270-281","user_id":"40778","doi":"10.1016/j.fluid.2018.12.015"},{"date_created":"2019-09-19T07:19:13Z","type":"journal_article","citation":{"short":"F.H. Cho, Z. Peng, T. Biktagirov, U. Gerstmann, S. Takahashi, The Journal of Chemical Physics 150 (2019) 134702.","ama":"Cho FH, Peng Z, Biktagirov T, Gerstmann U, Takahashi S. Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation. <i>The Journal of Chemical Physics</i>. 2019;150(13):134702. doi:<a href=\"https://doi.org/10.1063/1.5085351\">10.1063/1.5085351</a>","chicago":"Cho, F. H., Z. Peng, T. Biktagirov, Uwe Gerstmann, and S. Takahashi. “Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation.” <i>The Journal of Chemical Physics</i> 150, no. 13 (2019): 134702. <a href=\"https://doi.org/10.1063/1.5085351\">https://doi.org/10.1063/1.5085351</a>.","bibtex":"@article{Cho_Peng_Biktagirov_Gerstmann_Takahashi_2019, title={Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation}, volume={150}, DOI={<a href=\"https://doi.org/10.1063/1.5085351\">10.1063/1.5085351</a>}, number={13}, journal={The Journal of Chemical Physics}, author={Cho, F. H. and Peng, Z. and Biktagirov, T. and Gerstmann, Uwe and Takahashi, S.}, year={2019}, pages={134702} }","apa":"Cho, F. H., Peng, Z., Biktagirov, T., Gerstmann, U., &#38; Takahashi, S. (2019). Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation. <i>The Journal of Chemical Physics</i>, <i>150</i>(13), 134702. <a href=\"https://doi.org/10.1063/1.5085351\">https://doi.org/10.1063/1.5085351</a>","mla":"Cho, F. H., et al. “Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation.” <i>The Journal of Chemical Physics</i>, vol. 150, no. 13, 2019, p. 134702, doi:<a href=\"https://doi.org/10.1063/1.5085351\">10.1063/1.5085351</a>.","ieee":"F. H. Cho, Z. Peng, T. Biktagirov, U. Gerstmann, and S. Takahashi, “Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation,” <i>The Journal of Chemical Physics</i>, vol. 150, no. 13, p. 134702, 2019."},"publication":"The Journal of Chemical Physics","issue":"13","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"_id":"13294","language":[{"iso":"eng"}],"page":"134702","volume":150,"doi":"10.1063/1.5085351","user_id":"40778","author":[{"first_name":"F. H.","last_name":"Cho","full_name":"Cho, F. H."},{"full_name":"Peng, Z.","last_name":"Peng","first_name":"Z."},{"full_name":"Biktagirov, T.","last_name":"Biktagirov","first_name":"T."},{"id":"171","full_name":"Gerstmann, Uwe","last_name":"Gerstmann","first_name":"Uwe"},{"first_name":"S.","last_name":"Takahashi","full_name":"Takahashi, S."}],"year":"2019","title":"Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation","status":"public","intvolume":"       150","date_updated":"2022-01-06T06:51:32Z"}]