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Phosphorus-based Bifunctional Organocatalysts for the Addition of Carbon Dioxide and Epoxides. <i>ChemSusChem</i>. 2014;7(12):3268-3271. doi:<a href=\"https://doi.org/10.1002/cssc.201402477\">10.1002/cssc.201402477</a>"},"status":"public","_id":"38000","publisher":"Wiley","page":"3268-3271","volume":7,"user_id":"89271","issue":"12","publication":"ChemSusChem","extern":"1","date_created":"2023-01-22T21:09:23Z","department":[{"_id":"35"},{"_id":"2"},{"_id":"657"}],"type":"journal_article","keyword":["T1","T2","CSSD"],"publication_identifier":{"issn":["1864-5631"]},"author":[{"full_name":"Werner, Thomas","first_name":"Thomas","last_name":"Werner","orcid":"0000-0001-9025-3244","id":"89271"},{"first_name":"Hendrik","last_name":"Büttner","full_name":"Büttner, Hendrik"}],"title":"Phosphorus-based Bifunctional Organocatalysts for the Addition of Carbon Dioxide and Epoxides","year":"2014","intvolume":"         7","publication_status":"published","date_updated":"2025-11-10T09:38:53Z","language":[{"iso":"eng"}],"doi":"10.1002/cssc.201402477"},{"quality_controlled":"1","isi":"1","citation":{"mla":"Ebbert, Christoph, et al. “Toward a Microscopic Understanding of the Calcium-Silicate-Hydrates/Water Interface.” <i>APPLIED SURFACE SCIENCE</i>, vol. 290, 2014, pp. 207–14, doi:<a href=\"https://doi.org/10.1016/j.apsusc.2013.11.045\">10.1016/j.apsusc.2013.11.045</a>.","ama":"Ebbert C, Grundmeier G, Buitkamp N, Kroeger A, Messerschmidt F, Thissen P. Toward a microscopic understanding of the calcium-silicate-hydrates/water interface. <i>APPLIED SURFACE SCIENCE</i>. 2014;290:207-214. doi:<a href=\"https://doi.org/10.1016/j.apsusc.2013.11.045\">10.1016/j.apsusc.2013.11.045</a>","bibtex":"@article{Ebbert_Grundmeier_Buitkamp_Kroeger_Messerschmidt_Thissen_2014, title={Toward a microscopic understanding of the calcium-silicate-hydrates/water interface}, volume={290}, DOI={<a href=\"https://doi.org/10.1016/j.apsusc.2013.11.045\">10.1016/j.apsusc.2013.11.045</a>}, journal={APPLIED SURFACE SCIENCE}, author={Ebbert, Christoph and Grundmeier, Guido and Buitkamp, Nadine and Kroeger, Alexander and Messerschmidt, Florian and Thissen, Peter}, year={2014}, pages={207–214} }","apa":"Ebbert, C., Grundmeier, G., Buitkamp, N., Kroeger, A., Messerschmidt, F., &#38; Thissen, P. (2014). Toward a microscopic understanding of the calcium-silicate-hydrates/water interface. <i>APPLIED SURFACE SCIENCE</i>, <i>290</i>, 207–214. <a href=\"https://doi.org/10.1016/j.apsusc.2013.11.045\">https://doi.org/10.1016/j.apsusc.2013.11.045</a>","ieee":"C. Ebbert, G. Grundmeier, N. Buitkamp, A. Kroeger, F. Messerschmidt, and P. Thissen, “Toward a microscopic understanding of the calcium-silicate-hydrates/water interface,” <i>APPLIED SURFACE SCIENCE</i>, vol. 290, pp. 207–214, 2014, doi: <a href=\"https://doi.org/10.1016/j.apsusc.2013.11.045\">10.1016/j.apsusc.2013.11.045</a>.","short":"C. Ebbert, G. Grundmeier, N. Buitkamp, A. Kroeger, F. Messerschmidt, P. Thissen, APPLIED SURFACE SCIENCE 290 (2014) 207–214.","chicago":"Ebbert, Christoph, Guido Grundmeier, Nadine Buitkamp, Alexander Kroeger, Florian Messerschmidt, and Peter Thissen. “Toward a Microscopic Understanding of the Calcium-Silicate-Hydrates/Water Interface.” <i>APPLIED SURFACE SCIENCE</i> 290 (2014): 207–14. <a href=\"https://doi.org/10.1016/j.apsusc.2013.11.045\">https://doi.org/10.1016/j.apsusc.2013.11.045</a>."},"external_id":{"isi":["000329060100032"]},"status":"public","volume":290,"user_id":"7266","_id":"20945","page":"207-214","abstract":[{"lang":"eng","text":"Calcium-Silicate-Hydrates (C-S-H) are the main binding phases in most concrete which is the primarily used composite construction material in the world. However, a big lack is cleaving between the actual knowledge about C-S-H, compared to what could be reached using state-of-the-art technologies of modern research. In this article, the formation of a C-S-H phase on a native oxide covered silicon wafer is investigated by means of in-situ attenuated total reflection infrared (ATR-IR) and ex-situ surface-enhanced Raman spectroscopy (SERS). The total thickness of the C-S-H phase is determined by X-ray photoelectron spectroscopy (XPS) to be 3 nm. The formation appears to be reversible depending on the environment pH value and can be performed at room temperature. Based on density functional theory (DFT) calculations, it is shown that the C-S-H phase in the presence of water will change its chemical composition in order to reach the thermodynamic ground state of the system. This change is achieved by a metal-proton exchange reaction. The stoichiometry of these metal-proton exchange reactions is nearly independent of the environment pH value. Electrokinetic measurements yield isoelectric points of 2.0 and 2.6 for the native oxide covered silicon wafer (SiO2) and the C-S-H phase. This is consistent with a predominance of Si-O sites at the C-S-H/water interface. (C) 2013 Elsevier B. V. All rights reserved."}],"publication":"APPLIED SURFACE SCIENCE","department":[{"_id":"35"},{"_id":"302"},{"_id":"321"}],"type":"journal_article","date_created":"2021-01-13T10:12:51Z","intvolume":"       290","date_updated":"2025-11-18T12:05:39Z","publication_status":"published","publication_identifier":{"issn":["0169-4332"],"eissn":["1873-5584"]},"author":[{"id":"7266","full_name":"Ebbert, Christoph","first_name":"Christoph","last_name":"Ebbert"},{"full_name":"Grundmeier, Guido","last_name":"Grundmeier","first_name":"Guido","id":"194"},{"id":"1449","full_name":"Buitkamp, Nadine","first_name":"Nadine","last_name":"Buitkamp"},{"full_name":"Kroeger, Alexander","last_name":"Kroeger","first_name":"Alexander"},{"first_name":"Florian","last_name":"Messerschmidt","full_name":"Messerschmidt, Florian"},{"last_name":"Thissen","first_name":"Peter","full_name":"Thissen, Peter"}],"year":"2014","title":"Toward a microscopic understanding of the calcium-silicate-hydrates/water interface","doi":"10.1016/j.apsusc.2013.11.045","language":[{"iso":"eng"}]},{"date_created":"2024-05-15T11:57:59Z","department":[{"_id":"314"}],"type":"journal_article","issue":"42","publication":"Langmuir","language":[{"iso":"eng"}],"doi":"10.1021/la502730y","author":[{"id":"11841","last_name":"Kley","first_name":"Marina","orcid":"0000-0002-8628-7035","full_name":"Kley, Marina"},{"last_name":"Kempter","first_name":"A.","full_name":"Kempter, A."},{"full_name":"Boyko, V.","last_name":"Boyko","first_name":"V."},{"full_name":"Huber, Klaus","first_name":"Klaus","last_name":"Huber","id":"237"}],"publication_identifier":{"issn":["0743-7463","1520-5827"]},"year":"2014","title":"Mechanistic Studies of Silica Polymerization from Supersaturated Aqueous Solutions by Means of Time-Resolved Light Scattering","intvolume":"        30","date_updated":"2025-11-18T16:28:44Z","publication_status":"published","citation":{"bibtex":"@article{Kley_Kempter_Boyko_Huber_2014, title={Mechanistic Studies of Silica Polymerization from Supersaturated Aqueous Solutions by Means of Time-Resolved Light Scattering}, volume={30}, DOI={<a href=\"https://doi.org/10.1021/la502730y\">10.1021/la502730y</a>}, number={42}, journal={Langmuir}, publisher={American Chemical Society (ACS)}, author={Kley, Marina and Kempter, A. and Boyko, V. and Huber, Klaus}, year={2014}, pages={12664–12674} }","ama":"Kley M, Kempter A, Boyko V, Huber K. Mechanistic Studies of Silica Polymerization from Supersaturated Aqueous Solutions by Means of Time-Resolved Light Scattering. <i>Langmuir</i>. 2014;30(42):12664-12674. doi:<a href=\"https://doi.org/10.1021/la502730y\">10.1021/la502730y</a>","mla":"Kley, Marina, et al. “Mechanistic Studies of Silica Polymerization from Supersaturated Aqueous Solutions by Means of Time-Resolved Light Scattering.” <i>Langmuir</i>, vol. 30, no. 42, American Chemical Society (ACS), 2014, pp. 12664–74, doi:<a href=\"https://doi.org/10.1021/la502730y\">10.1021/la502730y</a>.","short":"M. Kley, A. Kempter, V. Boyko, K. Huber, Langmuir 30 (2014) 12664–12674.","chicago":"Kley, Marina, A. Kempter, V. Boyko, and Klaus Huber. “Mechanistic Studies of Silica Polymerization from Supersaturated Aqueous Solutions by Means of Time-Resolved Light Scattering.” <i>Langmuir</i> 30, no. 42 (2014): 12664–74. <a href=\"https://doi.org/10.1021/la502730y\">https://doi.org/10.1021/la502730y</a>.","ieee":"M. Kley, A. Kempter, V. Boyko, and K. Huber, “Mechanistic Studies of Silica Polymerization from Supersaturated Aqueous Solutions by Means of Time-Resolved Light Scattering,” <i>Langmuir</i>, vol. 30, no. 42, pp. 12664–12674, 2014, doi: <a href=\"https://doi.org/10.1021/la502730y\">10.1021/la502730y</a>.","apa":"Kley, M., Kempter, A., Boyko, V., &#38; Huber, K. (2014). Mechanistic Studies of Silica Polymerization from Supersaturated Aqueous Solutions by Means of Time-Resolved Light Scattering. <i>Langmuir</i>, <i>30</i>(42), 12664–12674. <a href=\"https://doi.org/10.1021/la502730y\">https://doi.org/10.1021/la502730y</a>"},"quality_controlled":"1","publisher":"American Chemical Society (ACS)","_id":"54292","page":"12664-12674","volume":30,"user_id":"237","status":"public"},{"citation":{"ama":"Vogelsang C. <i>Validierung eines Instruments zur Erfassung der professionellen Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen Lehrerkompetenz und Lehrerperformanz</i>. LOGOS; 2014.","bibtex":"@book{Vogelsang_2014, place={Berlin}, title={Validierung eines Instruments zur Erfassung der professionellen Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen Lehrerkompetenz und Lehrerperformanz}, publisher={LOGOS}, author={Vogelsang, Christoph}, year={2014} }","mla":"Vogelsang, Christoph. <i>Validierung eines Instruments zur Erfassung der professionellen Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen Lehrerkompetenz und Lehrerperformanz</i>. LOGOS, 2014.","chicago":"Vogelsang, Christoph. <i>Validierung eines Instruments zur Erfassung der professionellen Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen Lehrerkompetenz und Lehrerperformanz</i>. Berlin: LOGOS, 2014.","short":"C. Vogelsang, Validierung eines Instruments zur Erfassung der professionellen Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen Lehrerkompetenz und Lehrerperformanz, LOGOS, Berlin, 2014.","apa":"Vogelsang, C. (2014). <i>Validierung eines Instruments zur Erfassung der professionellen Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen Lehrerkompetenz und Lehrerperformanz</i>. LOGOS.","ieee":"C. Vogelsang, <i>Validierung eines Instruments zur Erfassung der professionellen Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen Lehrerkompetenz und Lehrerperformanz</i>. Berlin: LOGOS, 2014."},"place":"Berlin","date_created":"2023-01-12T08:59:16Z","department":[{"_id":"299"},{"_id":"33"},{"_id":"586"}],"type":"book","author":[{"full_name":"Vogelsang, Christoph","orcid":"0000-0002-5804-1855","last_name":"Vogelsang","first_name":"Christoph","id":"4245"}],"year":"2014","status":"public","title":"Validierung eines Instruments zur Erfassung der professionellen Handlungskompetenz von (angehenden) Physiklehrkräften. Zusammenhangsanalysen zwischen Lehrerkompetenz und Lehrerperformanz","date_updated":"2025-12-03T11:12:18Z","publication_status":"published","publisher":"LOGOS","_id":"36308","language":[{"iso":"ger"}],"user_id":"4245"},{"date_created":"2025-12-03T13:13:55Z","department":[{"_id":"952"},{"_id":"321"}],"type":"journal_article","issue":"12","publication":"International Journal for Numerical Methods in Engineering","abstract":[{"text":"<jats:title>SUMMARY</jats:title><jats:p>We introduce a material model for the simulation of polycrystalline materials undergoing solid‐to‐solid phase‐transformations. As a basis, we present a scalar‐valued phase‐transformation model where a Helmholtz free energy function depending on volumetric and deviatoric strain measures is assigned to each phase. The analysis of the related overall Gibbs energy density allows for the calculation of energy barriers. With these quantities at hand, we use a statistical‐physics‐based approach to determine the resulting evolution of volume fractions. Though the model facilitates to take into account an arbitrary number of solid phases of the underlying material, we restrict this work to the simulation of phase‐transformations between an austenitic parent phase and a martensitic tension and compression phase. The scalar model is embedded into a computational micro‐sphere formulation in view of the simulation of three‐dimensional boundary value problems. The final modelling approach necessary for macroscopic simulations is accomplished by a finite element formulation, where the local material behaviour at each integration point is governed by the response of the micro‐sphere model.Copyright © 2014 John Wiley &amp; Sons, Ltd.</jats:p>","lang":"eng"}],"language":[{"iso":"eng"}],"doi":"10.1002/nme.4601","author":[{"id":"106876","full_name":"Ostwald, Richard","orcid":"0000-0003-2147-8444","last_name":"Ostwald","first_name":"Richard"},{"last_name":"Bartel","first_name":"Thorsten","full_name":"Bartel, Thorsten"},{"full_name":"Menzel, Andreas","first_name":"Andreas","last_name":"Menzel"}],"publication_identifier":{"issn":["0029-5981","1097-0207"]},"title":"A Gibbs‐energy‐barrier‐based computational micro‐sphere model for the simulation of martensitic phase‐transformations","year":"2014","intvolume":"        97","date_updated":"2025-12-03T13:14:32Z","publication_status":"published","citation":{"bibtex":"@article{Ostwald_Bartel_Menzel_2014, title={A Gibbs‐energy‐barrier‐based computational micro‐sphere model for the simulation of martensitic phase‐transformations}, volume={97}, DOI={<a href=\"https://doi.org/10.1002/nme.4601\">10.1002/nme.4601</a>}, number={12}, journal={International Journal for Numerical Methods in Engineering}, publisher={Wiley}, author={Ostwald, Richard and Bartel, Thorsten and Menzel, Andreas}, year={2014}, pages={851–877} }","ama":"Ostwald R, Bartel T, Menzel A. A Gibbs‐energy‐barrier‐based computational micro‐sphere model for the simulation of martensitic phase‐transformations. <i>International Journal for Numerical Methods in Engineering</i>. 2014;97(12):851-877. doi:<a href=\"https://doi.org/10.1002/nme.4601\">10.1002/nme.4601</a>","mla":"Ostwald, Richard, et al. “A Gibbs‐energy‐barrier‐based Computational Micro‐sphere Model for the Simulation of Martensitic Phase‐transformations.” <i>International Journal for Numerical Methods in Engineering</i>, vol. 97, no. 12, Wiley, 2014, pp. 851–77, doi:<a href=\"https://doi.org/10.1002/nme.4601\">10.1002/nme.4601</a>.","short":"R. Ostwald, T. Bartel, A. Menzel, International Journal for Numerical Methods in Engineering 97 (2014) 851–877.","chicago":"Ostwald, Richard, Thorsten Bartel, and Andreas Menzel. “A Gibbs‐energy‐barrier‐based Computational Micro‐sphere Model for the Simulation of Martensitic Phase‐transformations.” <i>International Journal for Numerical Methods in Engineering</i> 97, no. 12 (2014): 851–77. <a href=\"https://doi.org/10.1002/nme.4601\">https://doi.org/10.1002/nme.4601</a>.","ieee":"R. Ostwald, T. Bartel, and A. Menzel, “A Gibbs‐energy‐barrier‐based computational micro‐sphere model for the simulation of martensitic phase‐transformations,” <i>International Journal for Numerical Methods in Engineering</i>, vol. 97, no. 12, pp. 851–877, 2014, doi: <a href=\"https://doi.org/10.1002/nme.4601\">10.1002/nme.4601</a>.","apa":"Ostwald, R., Bartel, T., &#38; Menzel, A. (2014). A Gibbs‐energy‐barrier‐based computational micro‐sphere model for the simulation of martensitic phase‐transformations. <i>International Journal for Numerical Methods in Engineering</i>, <i>97</i>(12), 851–877. <a href=\"https://doi.org/10.1002/nme.4601\">https://doi.org/10.1002/nme.4601</a>"},"quality_controlled":"1","publisher":"Wiley","_id":"62785","page":"851-877","volume":97,"user_id":"85414","status":"public"},{"intvolume":"       214","date_updated":"2025-12-03T13:15:39Z","publication_status":"published","publication_identifier":{"issn":["0924-0136"]},"author":[{"id":"106876","full_name":"Ostwald, Richard","first_name":"Richard","last_name":"Ostwald","orcid":"0000-0003-2147-8444"},{"full_name":"Tiffe, Marcel","last_name":"Tiffe","first_name":"Marcel"},{"last_name":"Bartel","first_name":"Thorsten","full_name":"Bartel, Thorsten"},{"last_name":"Zabel","first_name":"Andreas","full_name":"Zabel, Andreas"},{"last_name":"Menzel","first_name":"Andreas","full_name":"Menzel, Andreas"},{"full_name":"Biermann, Dirk","first_name":"Dirk","last_name":"Biermann"}],"title":"Towards the multi-scale simulation of martensitic phase-transformations: An efficient post-processing approach applied to turning processes","year":"2014","doi":"10.1016/j.jmatprotec.2014.02.022","language":[{"iso":"eng"}],"publication":"Journal of Materials Processing Technology","issue":"8","department":[{"_id":"952"},{"_id":"321"}],"type":"journal_article","date_created":"2025-12-03T13:15:00Z","status":"public","volume":214,"user_id":"85414","_id":"62786","publisher":"Elsevier BV","page":"1516-1523","quality_controlled":"1","citation":{"mla":"Ostwald, Richard, et al. “Towards the Multi-Scale Simulation of Martensitic Phase-Transformations: An Efficient Post-Processing Approach Applied to Turning Processes.” <i>Journal of Materials Processing Technology</i>, vol. 214, no. 8, Elsevier BV, 2014, pp. 1516–23, doi:<a href=\"https://doi.org/10.1016/j.jmatprotec.2014.02.022\">10.1016/j.jmatprotec.2014.02.022</a>.","ama":"Ostwald R, Tiffe M, Bartel T, Zabel A, Menzel A, Biermann D. Towards the multi-scale simulation of martensitic phase-transformations: An efficient post-processing approach applied to turning processes. <i>Journal of Materials Processing Technology</i>. 2014;214(8):1516-1523. doi:<a href=\"https://doi.org/10.1016/j.jmatprotec.2014.02.022\">10.1016/j.jmatprotec.2014.02.022</a>","bibtex":"@article{Ostwald_Tiffe_Bartel_Zabel_Menzel_Biermann_2014, title={Towards the multi-scale simulation of martensitic phase-transformations: An efficient post-processing approach applied to turning processes}, volume={214}, DOI={<a href=\"https://doi.org/10.1016/j.jmatprotec.2014.02.022\">10.1016/j.jmatprotec.2014.02.022</a>}, number={8}, journal={Journal of Materials Processing Technology}, publisher={Elsevier BV}, author={Ostwald, Richard and Tiffe, Marcel and Bartel, Thorsten and Zabel, Andreas and Menzel, Andreas and Biermann, Dirk}, year={2014}, pages={1516–1523} }","apa":"Ostwald, R., Tiffe, M., Bartel, T., Zabel, A., Menzel, A., &#38; Biermann, D. (2014). Towards the multi-scale simulation of martensitic phase-transformations: An efficient post-processing approach applied to turning processes. <i>Journal of Materials Processing Technology</i>, <i>214</i>(8), 1516–1523. <a href=\"https://doi.org/10.1016/j.jmatprotec.2014.02.022\">https://doi.org/10.1016/j.jmatprotec.2014.02.022</a>","ieee":"R. Ostwald, M. Tiffe, T. Bartel, A. Zabel, A. Menzel, and D. Biermann, “Towards the multi-scale simulation of martensitic phase-transformations: An efficient post-processing approach applied to turning processes,” <i>Journal of Materials Processing Technology</i>, vol. 214, no. 8, pp. 1516–1523, 2014, doi: <a href=\"https://doi.org/10.1016/j.jmatprotec.2014.02.022\">10.1016/j.jmatprotec.2014.02.022</a>.","short":"R. Ostwald, M. Tiffe, T. Bartel, A. Zabel, A. Menzel, D. Biermann, Journal of Materials Processing Technology 214 (2014) 1516–1523.","chicago":"Ostwald, Richard, Marcel Tiffe, Thorsten Bartel, Andreas Zabel, Andreas Menzel, and Dirk Biermann. “Towards the Multi-Scale Simulation of Martensitic Phase-Transformations: An Efficient Post-Processing Approach Applied to Turning Processes.” <i>Journal of Materials Processing Technology</i> 214, no. 8 (2014): 1516–23. <a href=\"https://doi.org/10.1016/j.jmatprotec.2014.02.022\">https://doi.org/10.1016/j.jmatprotec.2014.02.022</a>."}},{"project":[{"name":"Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"_id":"53","name":"TRR 142"},{"_id":"55","name":"TRR 142 - Project Area B"},{"_id":"69","name":"TRR 142 - Subproject B4"},{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"short":"R. Hölscher, W.G. Schmidt, S. Sanna, The Journal of Physical Chemistry C (2014) 10213–10220.","chicago":"Hölscher, Rebecca, Wolf Gero Schmidt, and Simone Sanna. “Modeling LiNbO3 Surfaces at Ambient Conditions.” <i>The Journal of Physical Chemistry C</i>, 2014, 10213–20. <a href=\"https://doi.org/10.1021/jp502936f\">https://doi.org/10.1021/jp502936f</a>.","ieee":"R. Hölscher, W. G. Schmidt, and S. Sanna, “Modeling LiNbO3 Surfaces at Ambient Conditions,” <i>The Journal of Physical Chemistry C</i>, pp. 10213–10220, 2014, doi: <a href=\"https://doi.org/10.1021/jp502936f\">10.1021/jp502936f</a>.","apa":"Hölscher, R., Schmidt, W. G., &#38; Sanna, S. (2014). Modeling LiNbO3 Surfaces at Ambient Conditions. <i>The Journal of Physical Chemistry C</i>, 10213–10220. <a href=\"https://doi.org/10.1021/jp502936f\">https://doi.org/10.1021/jp502936f</a>","bibtex":"@article{Hölscher_Schmidt_Sanna_2014, title={Modeling LiNbO3 Surfaces at Ambient Conditions}, DOI={<a href=\"https://doi.org/10.1021/jp502936f\">10.1021/jp502936f</a>}, journal={The Journal of Physical Chemistry C}, author={Hölscher, Rebecca and Schmidt, Wolf Gero and Sanna, Simone}, year={2014}, pages={10213–10220} }","ama":"Hölscher R, Schmidt WG, Sanna S. Modeling LiNbO3 Surfaces at Ambient Conditions. <i>The Journal of Physical Chemistry C</i>. Published online 2014:10213-10220. doi:<a href=\"https://doi.org/10.1021/jp502936f\">10.1021/jp502936f</a>","mla":"Hölscher, Rebecca, et al. “Modeling LiNbO3 Surfaces at Ambient Conditions.” <i>The Journal of Physical Chemistry C</i>, 2014, pp. 10213–20, doi:<a href=\"https://doi.org/10.1021/jp502936f\">10.1021/jp502936f</a>."},"publication":"The Journal of Physical Chemistry C","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"429"},{"_id":"27"}],"type":"journal_article","date_created":"2019-05-29T08:56:42Z","date_updated":"2025-12-05T09:57:24Z","publication_status":"published","author":[{"first_name":"Rebecca","last_name":"Hölscher","full_name":"Hölscher, Rebecca"},{"full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","id":"468"},{"full_name":"Sanna, Simone","last_name":"Sanna","first_name":"Simone"}],"publication_identifier":{"issn":["1932-7447","1932-7455"]},"status":"public","title":"Modeling LiNbO3 Surfaces at Ambient Conditions","year":"2014","doi":"10.1021/jp502936f","user_id":"16199","_id":"10036","language":[{"iso":"eng"}],"funded_apc":"1","page":"10213-10220"},{"publication":"Journal of Computational Chemistry","issue":"29-30","type":"journal_article","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"2"},{"_id":"35"},{"_id":"230"},{"_id":"27"}],"date_created":"2019-09-30T13:29:41Z","publication_status":"published","date_updated":"2025-12-05T10:34:29Z","intvolume":"        35","title":"Geometrical and optical benchmarking of copper(II) guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory (part II)","year":"2014","author":[{"full_name":"Hoffmann, Alexander","last_name":"Hoffmann","first_name":"Alexander"},{"first_name":"Martin","last_name":"Rohrmüller","full_name":"Rohrmüller, Martin"},{"full_name":"Jesser, Anton","last_name":"Jesser","first_name":"Anton"},{"first_name":"Ines","last_name":"dos Santos Vieira","full_name":"dos Santos Vieira, Ines"},{"full_name":"Schmidt, Wolf Gero","orcid":"0000-0002-2717-5076","first_name":"Wolf Gero","last_name":"Schmidt","id":"468"},{"last_name":"Herres-Pawlis","first_name":"Sonja","full_name":"Herres-Pawlis, Sonja"}],"publication_identifier":{"issn":["0192-8651"]},"doi":"10.1002/jcc.23740","language":[{"iso":"eng"}],"project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"citation":{"ieee":"A. 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G., &#38; Thissen, P. (2014). Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001). <i>The Journal of Physical Chemistry C</i>, <i>118</i>, 8007–8013. <a href=\"https://doi.org/10.1021/jp500170t\">https://doi.org/10.1021/jp500170t</a>","ieee":"S. Sanna, W. G. Schmidt, and P. Thissen, “Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001),” <i>The Journal of Physical Chemistry C</i>, vol. 118, pp. 8007–8013, 2014, doi: <a href=\"https://doi.org/10.1021/jp500170t\">10.1021/jp500170t</a>.","short":"S. Sanna, W.G. Schmidt, P. Thissen, The Journal of Physical Chemistry C 118 (2014) 8007–8013.","chicago":"Sanna, Simone, Wolf Gero Schmidt, and Peter Thissen. “Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001).” <i>The Journal of Physical Chemistry C</i> 118 (2014): 8007–13. <a href=\"https://doi.org/10.1021/jp500170t\">https://doi.org/10.1021/jp500170t</a>.","mla":"Sanna, Simone, et al. “Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001).” <i>The Journal of Physical Chemistry C</i>, vol. 118, 2014, pp. 8007–13, doi:<a href=\"https://doi.org/10.1021/jp500170t\">10.1021/jp500170t</a>.","ama":"Sanna S, Schmidt WG, Thissen P. Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001). <i>The Journal of Physical Chemistry C</i>. 2014;118:8007-8013. doi:<a href=\"https://doi.org/10.1021/jp500170t\">10.1021/jp500170t</a>","bibtex":"@article{Sanna_Schmidt_Thissen_2014, title={Formation of Hydroxyl Groups at Calcium-Silicate-Hydrate (C-S-H): Coexistence of Ca–OH and Si–OH on Wollastonite(001)}, volume={118}, DOI={<a href=\"https://doi.org/10.1021/jp500170t\">10.1021/jp500170t</a>}, journal={The Journal of Physical Chemistry C}, author={Sanna, Simone and Schmidt, Wolf Gero and Thissen, Peter}, year={2014}, pages={8007–8013} }"},"publication":"The Journal of Physical Chemistry C","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"2"},{"_id":"35"},{"_id":"230"}],"type":"journal_article","date_created":"2019-09-30T13:35:25Z"}]