“On-the-fly” coupled cluster-based path-integral molecular dynamics simulations predict that the effective potential of the protonated water–dimer has a single-well only.
"}],"publication":"Physical Chemistry Chemical Physics","type":"journal_article","doi":"10.1039/c4cp05192k","title":"“On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer","volume":17,"author":[{"first_name":"Thomas","last_name":"Spura","full_name":"Spura, Thomas"},{"first_name":"Hossam","full_name":"Elgabarty, Hossam","id":"60250","orcid":"0000-0002-4945-1481","last_name":"Elgabarty"},{"last_name":"Kühne","id":"49079","full_name":"Kühne, Thomas","first_name":"Thomas"}],"date_created":"2022-12-09T12:12:11Z","publisher":"Royal Society of Chemistry (RSC)","date_updated":"2022-12-09T12:19:55Z","intvolume":" 17","page":"14355-14359","citation":{"ieee":"T. Spura, H. Elgabarty, and T. Kühne, “‘On-the-fly’ coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer,” Physical Chemistry Chemical Physics, vol. 17, no. 22, pp. 14355–14359, 2015, doi: 10.1039/c4cp05192k.","chicago":"Spura, Thomas, Hossam Elgabarty, and Thomas Kühne. “‘On-the-Fly’ Coupled Cluster Path-Integral Molecular Dynamics: Impact of Nuclear Quantum Effects on the Protonated Water Dimer.” Physical Chemistry Chemical Physics 17, no. 22 (2015): 14355–59. https://doi.org/10.1039/c4cp05192k.","ama":"Spura T, Elgabarty H, Kühne T. “On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer. Physical Chemistry Chemical Physics. 2015;17(22):14355-14359. doi:10.1039/c4cp05192k","short":"T. Spura, H. Elgabarty, T. Kühne, Physical Chemistry Chemical Physics 17 (2015) 14355–14359.","mla":"Spura, Thomas, et al. “‘On-the-Fly’ Coupled Cluster Path-Integral Molecular Dynamics: Impact of Nuclear Quantum Effects on the Protonated Water Dimer.” Physical Chemistry Chemical Physics, vol. 17, no. 22, Royal Society of Chemistry (RSC), 2015, pp. 14355–59, doi:10.1039/c4cp05192k.","bibtex":"@article{Spura_Elgabarty_Kühne_2015, title={“On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer}, volume={17}, DOI={10.1039/c4cp05192k}, number={22}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Spura, Thomas and Elgabarty, Hossam and Kühne, Thomas}, year={2015}, pages={14355–14359} }","apa":"Spura, T., Elgabarty, H., & Kühne, T. (2015). “On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer. Physical Chemistry Chemical Physics, 17(22), 14355–14359. https://doi.org/10.1039/c4cp05192k"},"year":"2015","issue":"22","publication_identifier":{"issn":["1463-9076","1463-9084"]},"publication_status":"published"},{"status":"public","type":"journal_article","user_id":"27611","department":[{"_id":"35"},{"_id":"306"}],"_id":"41060","citation":{"ama":"Atkins AJ, Bauer M, Jacob CR. High-resolution X-ray absorption spectroscopy of iron carbonyl complexes. Physical Chemistry Chemical Physics. 2015;17(21):13937-13948. doi:10.1039/c5cp01045d","chicago":"Atkins, Andrew J., Matthias Bauer, and Christoph R. Jacob. “High-Resolution X-Ray Absorption Spectroscopy of Iron Carbonyl Complexes.” Physical Chemistry Chemical Physics 17, no. 21 (2015): 13937–48. https://doi.org/10.1039/c5cp01045d.","ieee":"A. J. Atkins, M. Bauer, and C. R. Jacob, “High-resolution X-ray absorption spectroscopy of iron carbonyl complexes,” Physical Chemistry Chemical Physics, vol. 17, no. 21, pp. 13937–13948, 2015, doi: 10.1039/c5cp01045d.","short":"A.J. Atkins, M. Bauer, C.R. Jacob, Physical Chemistry Chemical Physics 17 (2015) 13937–13948.","bibtex":"@article{Atkins_Bauer_Jacob_2015, title={High-resolution X-ray absorption spectroscopy of iron carbonyl complexes}, volume={17}, DOI={10.1039/c5cp01045d}, number={21}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Atkins, Andrew J. and Bauer, Matthias and Jacob, Christoph R.}, year={2015}, pages={13937–13948} }","mla":"Atkins, Andrew J., et al. “High-Resolution X-Ray Absorption Spectroscopy of Iron Carbonyl Complexes.” Physical Chemistry Chemical Physics, vol. 17, no. 21, Royal Society of Chemistry (RSC), 2015, pp. 13937–48, doi:10.1039/c5cp01045d.","apa":"Atkins, A. J., Bauer, M., & Jacob, C. R. (2015). High-resolution X-ray absorption spectroscopy of iron carbonyl complexes. Physical Chemistry Chemical Physics, 17(21), 13937–13948. https://doi.org/10.1039/c5cp01045d"},"intvolume":" 17","page":"13937-13948","publication_status":"published","publication_identifier":{"issn":["1463-9076","1463-9084"]},"doi":"10.1039/c5cp01045d","author":[{"first_name":"Andrew J.","full_name":"Atkins, Andrew J.","last_name":"Atkins"},{"orcid":"0000-0002-9294-6076","last_name":"Bauer","id":"47241","full_name":"Bauer, Matthias","first_name":"Matthias"},{"first_name":"Christoph R.","last_name":"Jacob","full_name":"Jacob, Christoph R."}],"volume":17,"date_updated":"2023-01-31T08:36:22Z","abstract":[{"text":"We apply high-energy-resolution fluorescence-detected (HERFD) X-ray absorption near-edge structure (XANES) spectroscopy to study iron carbonyl complexes.
","lang":"eng"}],"publication":"Physical Chemistry Chemical Physics","language":[{"iso":"eng"}],"keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"year":"2015","issue":"21","title":"High-resolution X-ray absorption spectroscopy of iron carbonyl complexes","date_created":"2023-01-30T20:39:07Z","publisher":"Royal Society of Chemistry (RSC)"},{"page":"21634-21642","citation":{"ama":"Weiss A, Reimer N, Stock N, Tiemann M, Wagner T. Surface-modified CAU-10 MOF materials as humidity sensors: impedance spectroscopic study on water uptake. Physical Chemistry Chemical Physics. Published online 2015:21634-21642. doi:10.1039/c5cp01988e","ieee":"A. Weiss, N. Reimer, N. Stock, M. Tiemann, and T. Wagner, “Surface-modified CAU-10 MOF materials as humidity sensors: impedance spectroscopic study on water uptake,” Physical Chemistry Chemical Physics, pp. 21634–21642, 2015, doi: 10.1039/c5cp01988e.","chicago":"Weiss, Alexander, Nele Reimer, Norbert Stock, Michael Tiemann, and Thorsten Wagner. “Surface-Modified CAU-10 MOF Materials as Humidity Sensors: Impedance Spectroscopic Study on Water Uptake.” Physical Chemistry Chemical Physics, 2015, 21634–42. https://doi.org/10.1039/c5cp01988e.","apa":"Weiss, A., Reimer, N., Stock, N., Tiemann, M., & Wagner, T. (2015). Surface-modified CAU-10 MOF materials as humidity sensors: impedance spectroscopic study on water uptake. Physical Chemistry Chemical Physics, 21634–21642. https://doi.org/10.1039/c5cp01988e","mla":"Weiss, Alexander, et al. “Surface-Modified CAU-10 MOF Materials as Humidity Sensors: Impedance Spectroscopic Study on Water Uptake.” Physical Chemistry Chemical Physics, 2015, pp. 21634–42, doi:10.1039/c5cp01988e.","bibtex":"@article{Weiss_Reimer_Stock_Tiemann_Wagner_2015, title={Surface-modified CAU-10 MOF materials as humidity sensors: impedance spectroscopic study on water uptake}, DOI={10.1039/c5cp01988e}, journal={Physical Chemistry Chemical Physics}, author={Weiss, Alexander and Reimer, Nele and Stock, Norbert and Tiemann, Michael and Wagner, Thorsten}, year={2015}, pages={21634–21642} }","short":"A. Weiss, N. Reimer, N. Stock, M. Tiemann, T. Wagner, Physical Chemistry Chemical Physics (2015) 21634–21642."},"publication_identifier":{"issn":["1463-9076","1463-9084"]},"publication_status":"published","doi":"10.1039/c5cp01988e","main_file_link":[{"url":"https://pubs.rsc.org/en/content/articlepdf/2015/cp/c5cp01988e","open_access":"1"}],"date_updated":"2023-03-08T10:28:19Z","oa":"1","author":[{"full_name":"Weiss, Alexander","last_name":"Weiss","first_name":"Alexander"},{"full_name":"Reimer, Nele","last_name":"Reimer","first_name":"Nele"},{"first_name":"Norbert","last_name":"Stock","full_name":"Stock, Norbert"},{"last_name":"Tiemann","orcid":"0000-0003-1711-2722","full_name":"Tiemann, Michael","id":"23547","first_name":"Michael"},{"last_name":"Wagner","full_name":"Wagner, Thorsten","first_name":"Thorsten"}],"status":"public","type":"journal_article","article_type":"original","_id":"25940","department":[{"_id":"35"},{"_id":"2"},{"_id":"307"}],"user_id":"23547","year":"2015","quality_controlled":"1","title":"Surface-modified CAU-10 MOF materials as humidity sensors: impedance spectroscopic study on water uptake","date_created":"2021-10-08T15:47:59Z","abstract":[{"lang":"eng","text":"Metal–organic frameworks (MOFs) are crystalline microporous materials with tunable chemical and physical properties. By combining various metal clusters with different interconnecting organic linkers, the pore structure, crystallinity, as well as the surface properties can be modified. In the present work, modification of the organic linker molecules is utilized to synthesize CAU-10 type MOFs with variable affinity of the pore surface to water. In principle, this should influence the accessibility of the pores for water vapor and therefore offer a tool to control its sorption properties. For a deeper understanding we studied the water sorption characteristics and compared the results to the conductive and dielectric properties studied by impedance spectroscopy. Spectra in a wide frequency range from 1 mHz to 1 MHz were recorded. Data analysis is performed using the Havriliak–Negami model. The MOFs are also tested as sensitive layers for capacitive humidity sensing by correlating the change in permittivity of the materials with the amount of physisorbed water. Such an MOF-based sensor was tested with respect to environmental monitoring and compared to a commonly used commercial humidity sensor."}],"publication":"Physical Chemistry Chemical Physics","language":[{"iso":"eng"}]},{"title":"Structure formation in diindenoperylene thin films on copper(111)","doi":"10.1039/c4cp05271d","date_updated":"2025-12-05T10:36:44Z","volume":17,"author":[{"full_name":"Aldahhak, Hazem","id":"26687","last_name":"Aldahhak","first_name":"Hazem"},{"full_name":"Matencio, S.","last_name":"Matencio","first_name":"S."},{"last_name":"Barrena","full_name":"Barrena, E.","first_name":"E."},{"full_name":"Ocal, C.","last_name":"Ocal","first_name":"C."},{"first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt"},{"first_name":"E.","last_name":"Rauls","full_name":"Rauls, E."}],"date_created":"2019-09-30T13:15:09Z","year":"2015","intvolume":" 17","page":"8776-8783","citation":{"short":"H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W.G. Schmidt, E. Rauls, Physical Chemistry Chemical Physics 17 (2015) 8776–8783.","bibtex":"@article{Aldahhak_Matencio_Barrena_Ocal_Schmidt_Rauls_2015, title={Structure formation in diindenoperylene thin films on copper(111)}, volume={17}, DOI={10.1039/c4cp05271d}, journal={Physical Chemistry Chemical Physics}, author={Aldahhak, Hazem and Matencio, S. and Barrena, E. and Ocal, C. and Schmidt, Wolf Gero and Rauls, E.}, year={2015}, pages={8776–8783} }","mla":"Aldahhak, Hazem, et al. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” Physical Chemistry Chemical Physics, vol. 17, 2015, pp. 8776–83, doi:10.1039/c4cp05271d.","apa":"Aldahhak, H., Matencio, S., Barrena, E., Ocal, C., Schmidt, W. G., & Rauls, E. (2015). Structure formation in diindenoperylene thin films on copper(111). Physical Chemistry Chemical Physics, 17, 8776–8783. https://doi.org/10.1039/c4cp05271d","ama":"Aldahhak H, Matencio S, Barrena E, Ocal C, Schmidt WG, Rauls E. Structure formation in diindenoperylene thin films on copper(111). Physical Chemistry Chemical Physics. 2015;17:8776-8783. doi:10.1039/c4cp05271d","chicago":"Aldahhak, Hazem, S. Matencio, E. Barrena, C. Ocal, Wolf Gero Schmidt, and E. Rauls. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” Physical Chemistry Chemical Physics 17 (2015): 8776–83. https://doi.org/10.1039/c4cp05271d.","ieee":"H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W. G. Schmidt, and E. Rauls, “Structure formation in diindenoperylene thin films on copper(111),” Physical Chemistry Chemical Physics, vol. 17, pp. 8776–8783, 2015, doi: 10.1039/c4cp05271d."},"publication_identifier":{"issn":["1463-9076","1463-9084"]},"publication_status":"published","language":[{"iso":"eng"}],"_id":"13505","department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"user_id":"16199","abstract":[{"lang":"eng","text":"First-principles calculations were combined with scanning tunneling microscopy (STM) measurements to analyze the adsorption of diindenoperylene (DIP) molecules on Cu(111) surfaces.
"}],"status":"public","publication":"Physical Chemistry Chemical Physics","type":"journal_article"},{"status":"public","abstract":[{"lang":"eng","text":"First-principles calculations were combined with scanning tunneling microscopy (STM) measurements to analyze the adsorption of diindenoperylene (DIP) molecules on Cu(111) surfaces.
"}],"publication":"Physical Chemistry Chemical Physics","type":"journal_article","language":[{"iso":"eng"}],"department":[{"_id":"15"},{"_id":"170"},{"_id":"295"},{"_id":"35"},{"_id":"230"}],"user_id":"16199","_id":"13503","page":"8776-8783","intvolume":" 17","citation":{"ama":"Aldahhak H, Matencio S, Barrena E, Ocal C, Schmidt WG, Rauls E. Structure formation in diindenoperylene thin films on copper(111). Physical Chemistry Chemical Physics. 2015;17:8776-8783. doi:10.1039/c4cp05271d","chicago":"Aldahhak, Hazem, S. Matencio, E. Barrena, C. Ocal, Wolf Gero Schmidt, and E. Rauls. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” Physical Chemistry Chemical Physics 17 (2015): 8776–83. https://doi.org/10.1039/c4cp05271d.","ieee":"H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W. G. Schmidt, and E. Rauls, “Structure formation in diindenoperylene thin films on copper(111),” Physical Chemistry Chemical Physics, vol. 17, pp. 8776–8783, 2015, doi: 10.1039/c4cp05271d.","apa":"Aldahhak, H., Matencio, S., Barrena, E., Ocal, C., Schmidt, W. G., & Rauls, E. (2015). Structure formation in diindenoperylene thin films on copper(111). Physical Chemistry Chemical Physics, 17, 8776–8783. https://doi.org/10.1039/c4cp05271d","short":"H. Aldahhak, S. Matencio, E. Barrena, C. Ocal, W.G. Schmidt, E. Rauls, Physical Chemistry Chemical Physics 17 (2015) 8776–8783.","mla":"Aldahhak, Hazem, et al. “Structure Formation in Diindenoperylene Thin Films on Copper(111).” Physical Chemistry Chemical Physics, vol. 17, 2015, pp. 8776–83, doi:10.1039/c4cp05271d.","bibtex":"@article{Aldahhak_Matencio_Barrena_Ocal_Schmidt_Rauls_2015, title={Structure formation in diindenoperylene thin films on copper(111)}, volume={17}, DOI={10.1039/c4cp05271d}, journal={Physical Chemistry Chemical Physics}, author={Aldahhak, Hazem and Matencio, S. and Barrena, E. and Ocal, C. and Schmidt, Wolf Gero and Rauls, E.}, year={2015}, pages={8776–8783} }"},"year":"2015","publication_identifier":{"issn":["1463-9076","1463-9084"]},"publication_status":"published","doi":"10.1039/c4cp05271d","title":"Structure formation in diindenoperylene thin films on copper(111)","volume":17,"date_created":"2019-09-30T13:03:08Z","author":[{"last_name":"Aldahhak","full_name":"Aldahhak, Hazem","first_name":"Hazem"},{"last_name":"Matencio","full_name":"Matencio, S.","first_name":"S."},{"last_name":"Barrena","full_name":"Barrena, E.","first_name":"E."},{"full_name":"Ocal, C.","last_name":"Ocal","first_name":"C."},{"first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero","id":"468","orcid":"0000-0002-2717-5076","last_name":"Schmidt"},{"first_name":"E.","full_name":"Rauls, E.","last_name":"Rauls"}],"date_updated":"2025-12-05T10:37:42Z"},{"user_id":"60250","_id":"34311","language":[{"iso":"eng"}],"keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"type":"journal_article","publication":"Phys. Chem. Chem. Phys.","status":"public","abstract":[{"text":"The chromophore phycocyanobilin changes its spectroscopic behaviour upon solvent change. Our calculations trace this effect back to conformational switching, induced by changes in the hydrogen bonding pattern.
","lang":"eng"}],"author":[{"first_name":"Tobias","full_name":"Watermann, Tobias","last_name":"Watermann"},{"id":"60250","full_name":"Elgabarty, Hossam","orcid":"0000-0002-4945-1481","last_name":"Elgabarty","first_name":"Hossam"},{"first_name":"Daniel","last_name":"Sebastiani","full_name":"Sebastiani, Daniel"}],"date_created":"2022-12-09T12:16:16Z","volume":16,"date_updated":"2022-12-09T12:16:23Z","publisher":"Royal Society of Chemistry (RSC)","doi":"10.1039/c3cp54307b","title":"Phycocyanobilin in solution – a solvent triggered molecular switch","issue":"13","publication_status":"published","publication_identifier":{"issn":["1463-9076","1463-9084"]},"citation":{"apa":"Watermann, T., Elgabarty, H., & Sebastiani, D. (2014). Phycocyanobilin in solution – a solvent triggered molecular switch. Phys. Chem. Chem. Phys., 16(13), 6146–6152. https://doi.org/10.1039/c3cp54307b","bibtex":"@article{Watermann_Elgabarty_Sebastiani_2014, title={Phycocyanobilin in solution – a solvent triggered molecular switch}, volume={16}, DOI={10.1039/c3cp54307b}, number={13}, journal={Phys. Chem. Chem. Phys.}, publisher={Royal Society of Chemistry (RSC)}, author={Watermann, Tobias and Elgabarty, Hossam and Sebastiani, Daniel}, year={2014}, pages={6146–6152} }","mla":"Watermann, Tobias, et al. “Phycocyanobilin in Solution – a Solvent Triggered Molecular Switch.” Phys. Chem. Chem. Phys., vol. 16, no. 13, Royal Society of Chemistry (RSC), 2014, pp. 6146–52, doi:10.1039/c3cp54307b.","short":"T. Watermann, H. Elgabarty, D. Sebastiani, Phys. Chem. Chem. Phys. 16 (2014) 6146–6152.","ieee":"T. Watermann, H. Elgabarty, and D. Sebastiani, “Phycocyanobilin in solution – a solvent triggered molecular switch,” Phys. Chem. Chem. Phys., vol. 16, no. 13, pp. 6146–6152, 2014, doi: 10.1039/c3cp54307b.","chicago":"Watermann, Tobias, Hossam Elgabarty, and Daniel Sebastiani. “Phycocyanobilin in Solution – a Solvent Triggered Molecular Switch.” Phys. Chem. Chem. Phys. 16, no. 13 (2014): 6146–52. https://doi.org/10.1039/c3cp54307b.","ama":"Watermann T, Elgabarty H, Sebastiani D. Phycocyanobilin in solution – a solvent triggered molecular switch. Phys Chem Chem Phys. 2014;16(13):6146-6152. doi:10.1039/c3cp54307b"},"intvolume":" 16","page":"6146-6152","year":"2014"},{"status":"public","type":"journal_article","user_id":"48467","department":[{"_id":"306"}],"_id":"41225","citation":{"short":"M. Bauer, Phys. Chem. Chem. Phys. 16 (2014) 13827–13837.","mla":"Bauer, Matthias. “HERFD-XAS and Valence-to-Core-XES: New Tools to Push the Limits in Research with Hard X-Rays?” Phys. Chem. Chem. Phys., vol. 16, no. 27, Royal Society of Chemistry (RSC), 2014, pp. 13827–37, doi:10.1039/c4cp00904e.","bibtex":"@article{Bauer_2014, title={HERFD-XAS and valence-to-core-XES: new tools to push the limits in research with hard X-rays?}, volume={16}, DOI={10.1039/c4cp00904e}, number={27}, journal={Phys. Chem. Chem. Phys.}, publisher={Royal Society of Chemistry (RSC)}, author={Bauer, Matthias}, year={2014}, pages={13827–13837} }","apa":"Bauer, M. (2014). HERFD-XAS and valence-to-core-XES: new tools to push the limits in research with hard X-rays? Phys. Chem. Chem. Phys., 16(27), 13827–13837. https://doi.org/10.1039/c4cp00904e","ama":"Bauer M. HERFD-XAS and valence-to-core-XES: new tools to push the limits in research with hard X-rays? Phys Chem Chem Phys. 2014;16(27):13827-13837. doi:10.1039/c4cp00904e","chicago":"Bauer, Matthias. “HERFD-XAS and Valence-to-Core-XES: New Tools to Push the Limits in Research with Hard X-Rays?” Phys. Chem. Chem. Phys. 16, no. 27 (2014): 13827–37. https://doi.org/10.1039/c4cp00904e.","ieee":"M. Bauer, “HERFD-XAS and valence-to-core-XES: new tools to push the limits in research with hard X-rays?,” Phys. Chem. Chem. Phys., vol. 16, no. 27, pp. 13827–13837, 2014, doi: 10.1039/c4cp00904e."},"intvolume":" 16","page":"13827-13837","publication_status":"published","publication_identifier":{"issn":["1463-9076","1463-9084"]},"doi":"10.1039/c4cp00904e","author":[{"first_name":"Matthias","last_name":"Bauer","orcid":"0000-0002-9294-6076","full_name":"Bauer, Matthias","id":"47241"}],"volume":16,"date_updated":"2023-01-31T14:48:29Z","abstract":[{"lang":"eng","text":"This perspective accounts for the benefits of the high resolution hard X-ray spectroscopic methods HERFD-XANES and valence-to-core-XES.
"}],"publication":"Phys. Chem. Chem. Phys.","language":[{"iso":"eng"}],"keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"year":"2014","issue":"27","title":"HERFD-XAS and valence-to-core-XES: new tools to push the limits in research with hard X-rays?","date_created":"2023-01-31T14:45:33Z","publisher":"Royal Society of Chemistry (RSC)"},{"publication_status":"published","publication_identifier":{"issn":["1463-9076","1463-9084"]},"issue":"28","year":"2014","citation":{"apa":"Wiebeler, C., Bader, C. A., Meier, C., & Schumacher, S. (2014). Optical spectrum, perceived color, refractive index, and non-adiabatic dynamics of the photochromic diarylethene CMTE. Phys. Chem. Chem. Phys., 16(28), 14531–14538. https://doi.org/10.1039/c3cp55490b","short":"C. Wiebeler, C.A. Bader, C. Meier, S. Schumacher, Phys. Chem. Chem. Phys. 16 (2014) 14531–14538.","bibtex":"@article{Wiebeler_Bader_Meier_Schumacher_2014, title={Optical spectrum, perceived color, refractive index, and non-adiabatic dynamics of the photochromic diarylethene CMTE}, volume={16}, DOI={10.1039/c3cp55490b}, number={28}, journal={Phys. Chem. Chem. Phys.}, publisher={Royal Society of Chemistry (RSC)}, author={Wiebeler, Christian and Bader, Christina A. and Meier, Cedrik and Schumacher, Stefan}, year={2014}, pages={14531–14538} }","mla":"Wiebeler, Christian, et al. “Optical Spectrum, Perceived Color, Refractive Index, and Non-Adiabatic Dynamics of the Photochromic Diarylethene CMTE.” Phys. Chem. Chem. Phys., vol. 16, no. 28, Royal Society of Chemistry (RSC), 2014, pp. 14531–38, doi:10.1039/c3cp55490b.","ama":"Wiebeler C, Bader CA, Meier C, Schumacher S. Optical spectrum, perceived color, refractive index, and non-adiabatic dynamics of the photochromic diarylethene CMTE. Phys Chem Chem Phys. 2014;16(28):14531-14538. doi:10.1039/c3cp55490b","chicago":"Wiebeler, Christian, Christina A. Bader, Cedrik Meier, and Stefan Schumacher. “Optical Spectrum, Perceived Color, Refractive Index, and Non-Adiabatic Dynamics of the Photochromic Diarylethene CMTE.” Phys. Chem. Chem. Phys. 16, no. 28 (2014): 14531–38. https://doi.org/10.1039/c3cp55490b.","ieee":"C. Wiebeler, C. A. Bader, C. Meier, and S. Schumacher, “Optical spectrum, perceived color, refractive index, and non-adiabatic dynamics of the photochromic diarylethene CMTE,” Phys. Chem. Chem. Phys., vol. 16, no. 28, pp. 14531–14538, 2014, doi: 10.1039/c3cp55490b."},"intvolume":" 16","page":"14531-14538","date_updated":"2025-12-05T14:49:36Z","publisher":"Royal Society of Chemistry (RSC)","date_created":"2019-02-04T14:09:21Z","author":[{"first_name":"Christian","last_name":"Wiebeler","full_name":"Wiebeler, Christian"},{"last_name":"Bader","full_name":"Bader, Christina A.","first_name":"Christina A."},{"first_name":"Cedrik","last_name":"Meier","orcid":"https://orcid.org/0000-0002-3787-3572","id":"20798","full_name":"Meier, Cedrik"},{"full_name":"Schumacher, Stefan","id":"27271","orcid":"0000-0003-4042-4951","last_name":"Schumacher","first_name":"Stefan"}],"volume":16,"title":"Optical spectrum, perceived color, refractive index, and non-adiabatic dynamics of the photochromic diarylethene CMTE","doi":"10.1039/c3cp55490b","type":"journal_article","publication":"Phys. Chem. Chem. 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Roduner, Physical Chemistry Chemical Physics 10 (2008).","bibtex":"@article{Akdogan_Vogt_Bauer_Bertagnolli_Giurgiu_Roduner_2008, title={Platinum species in the pores of NaX, NaY and NaA zeolites studied using EPR, XAS and FTIR spectroscopies}, volume={10}, DOI={10.1039/b718932j}, number={202952}, journal={Physical Chemistry Chemical Physics}, publisher={Royal Society of Chemistry (RSC)}, author={Akdogan, Yasar and Vogt, Christina and Bauer, Matthias and Bertagnolli, Helmut and Giurgiu, Liviu and Roduner, Emil}, year={2008} }","mla":"Akdogan, Yasar, et al. “Platinum Species in the Pores of NaX, NaY and NaA Zeolites Studied Using EPR, XAS and FTIR Spectroscopies.” Physical Chemistry Chemical Physics, vol. 10, no. 20, 2952, Royal Society of Chemistry (RSC), 2008, doi:10.1039/b718932j."},"intvolume":" 10","year":"2008"},{"language":[{"iso":"eng"}],"article_number":"2664","keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"user_id":"48467","department":[{"_id":"306"}],"_id":"41287","status":"public","type":"journal_article","publication":"Physical Chemistry Chemical Physics","doi":"10.1039/b501204j","title":"Investigations into the metal species of the homogeneous iron(iii) catalyzed Michael addition reactions","author":[{"first_name":"Matthias","last_name":"Bauer","orcid":"0000-0002-9294-6076","full_name":"Bauer, Matthias","id":"47241"},{"full_name":"Kauf, Thomas","last_name":"Kauf","first_name":"Thomas"},{"full_name":"Christoffers, Jens","last_name":"Christoffers","first_name":"Jens"},{"full_name":"Bertagnolli, Helmut","last_name":"Bertagnolli","first_name":"Helmut"}],"date_created":"2023-01-31T15:11:26Z","volume":7,"publisher":"Royal Society of Chemistry (RSC)","date_updated":"2023-01-31T15:11:33Z","citation":{"apa":"Bauer, M., Kauf, T., Christoffers, J., & Bertagnolli, H. 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