Literatur

Meyermann, A., & Porzelt, M. (2014). Hinweise zur Anonymisierung von qualitativen Daten. Forschungsdaten Bildung Informiert, (1). Retrieved from https://www.forschungsdaten-bildung.de/get_files.php?action=get_file&file=fdb-informiert-nr-1.pdf

Ebel, T., & Meyermann, A. (2015). Hinweise zur Anonymisierung von quantitativen Daten. Forschungsdaten Bildung Informiert, (3). Retrieved from https://www.forschungsdaten-bildung.de/get_files.php?action=get_file&file=fdb-informiert-nr-3.pdf

Volkmann, S., Feiten, L., Zimmermann, C., Sester, S., Wehle, L., & Becker, B. (2016). Digitale Tarnkappe: Anonymisierung in Videoaufnahmen. In H. C. Mayr & M. Pinzger, H. C. Mayr & M. Pinzger (Eds.), GI-Jahrestagung (Vol. P-259, pp. 413–426). GI. Retrieved from http://dblp.uni-trier.de/db/conf/gi/gi2016.html#VolkmannFZSWB16

Klimpel, P. (2018). Mehr als Materialbewahrung Über die Bedeutung von Rechteinformationen und Lizenzierung in Bibliotheken. In Lizenzangaben und Rechtedokumentationen im Dialog – Datenflüsse nachhaltig gestalten.

Nationalbibliothek, D. (Ed.). (2018). Lizenzangaben und Rechtedokumentationen im Dialog - Datenflüsse nachhaltig gestalten. (D. Nationalbibliothek).

Hannover, L. U., & Informationsbibliothek, T. (2018). FAQs Zu Rechtlichen Aspekten Im Umgang Mit Forschungsdaten. https://doi.org/10.5281/zenodo.1173546

Lauber‐Rönsberg, A., Krahn, P., & Baumann, P. (2018). Gutachten zu den rechtlichen Rahmenbedingungen des Forschungsdatenmanagements. Retrieved from https://tu-dresden.de/gsw/jura/igewem/jfbimd13/ressourcen/dateien/publikationen/DataJus_Zusammenfassung_Gutachten_12-07-18.pdf?lang=de

Stietenroth, D., Nieschulze, J., & Arend, K. (2005). Rechtliche Aspekte und Umsetzung des Datenmanagement in internationalen interdisziplinären Forschungsprojekten. Zeitschrift Für Agrarinformatik, 3, 64–75. Retrieved from http://www.gil.de/publications/zai/archiv/11_3_2005.pdf

Guibault, L., & Wiebe, A. (2013). Safe to be open. Study on the protection of research data and recommendations für access and usage. Universitätsverlag Göttingen.

Erdmann, C., Simons, N., Otsuji, R., Labou, S., Johnson, R., Castelao, G., … Dennis, T. (2019). Top 10 FAIR Data & Software Things. https://doi.org/10.5281/zenodo.2555498

Brown, C., Hong, N. C., & Jackson, M. (2018a). Software Deposit and Preservation Policy and                    Planning Workshop Report. https://doi.org/10.5281/zenodo.1250310

Brown, C., Hong, N. C., & Jackson, M. (2018b). Software Deposit And Preservation Policy And Planning Workshop Report. https://doi.org/10.5281/zenodo.1250310

Gundersen, O. E., & Kjensmo, S. (2018). State of the Art: Reproducibility in Artificial Intelligence. In S. McIlraith & K. Weinberger, S. McIlraith & K. Weinberger (Eds.), Proceedings of the 32nd AAAI Conference on Artificial Intelligence (AAAI-18). Association for the Advancement of Artificial Intelligence.

Gärtner, M., Hahn, U., & Hermann, S. (2018a). Supporting Sustainable Process Documentation. In G. Rehm & T. Declerck, G. Rehm & T. Declerck (Eds.), Language Technologies for the Challenges of the Digital Age: 27th International Conference, GSCL 2017, Berlin, Germany, September 13-14, 2017, Proceedings (pp. 284--291). Cham: Springer International Publishing. https://doi.org/10.1007/978-3-319-73706-5_24

Gärtner, M., Hahn, U., & Hermann, S. (2018b). Supporting Sustainable Process Documentation. In G. Rehm & T. Declerck, G. Rehm & T. Declerck (Eds.), Language Technologies for the Challenges of the Digital Age: 27th International Conference, GSCL 2017, Berlin, Germany, September 13-14, 2017, Proceedings (pp. 284--291). Cham: Springer International Publishing. https://doi.org/10.1007/978-3-319-73706-5_24

Hermann, S., Hahn, U., Gärtner, M., & Fritze, F. (2018). Nachträglich ist nicht gleich nachnutzbar: Ansätze für integrierte Prozessdokumentation im Forschungsalltag: 32-45 Seiten / o-bib. Das offene Bibliotheksjournal / herausgegeben vom VDB, Bd. 5 Nr. 3 (2018). https://doi.org/10.5282/O-BIB/2018H3S32-45

Katerbow, M., & Feulner, G. (2018). Handreichung Zum Umgang Mit Forschungssoftware. Zenodo. https://doi.org/10.5281/zenodo.1172970

no author. (15.02.2018). Choose an open source license | Choose a License. Retrieved from https://choosealicense.com/

Atkinson, M., Gesing, S., Montagnat, J., & Taylor, I. (2017). Scientific workflows: Past, present and future. Future Generation Computer Systems, 75, 216–227. https://doi.org/https://doi.org/10.1016/j.future.2017.05.041

da Silva, R. F., Filgueira, R., Pietri, I., Jiang, M., Sakellariou, R., & Deelman, E. (2017). A characterization of workflow management systems for extreme-scale applications. Future Generation Computer Systems, 75, 228–238. https://doi.org/https://doi.org/10.1016/j.future.2017.02.026

Hahn, U., Hermann, S., Enderle, P., Fritze, F., Gärtner, M., & Kushnarenko, V. (2017a). RePlay-DH - Realisierung einer Plattform und begleitender Dienste zum Forschungsdatenmanagement für die Fachcommunity - Digital Humanities. E-Science-Tage 2017: Forschungsdaten Managen. Retrieved from http://archiv.ub.uni-heidelberg.de/volltextserver/22886/

Hahn, U., Hermann, S., Enderle, P., Fritze, F., Gärtner, M., & Kushnarenko, V. (2017b). RePlay-DH - Realisierung einer Plattform und begleitender Dienste zum Forschungsdatenmanagement für die Fachcommunity - Digital Humanities. In E-Science-Tage 2017: Forschungsdaten managen. https://doi.org/10.11588/heidok.00022886

Hahn, U., Hermann, S., Enderle, P., Fritze, F., Gärtner, M., & Kushnarenko, V. (2017c). RePlay-DH - Realisierung einer Plattform und begleitender Dienste zum Forschungsdatenmanagement für die Fachcommunity - Digital Humanities. In E-Science-Tage 2017: Forschungsdaten managen. https://doi.org/10.11588/heidok.00022886

Hahn, U., Hermann, S., Enderle, P., Fritze, F., Gärtner, M., & Kushnarenko, V. (2017d). RePlay-DH - Realisierung einer Plattform und begleitender Dienste zum Forschungsdatenmanagement für die Fachcommunity - Digital Humanities. E-Science-Tage 2017: Forschungsdaten Managen. Retrieved from http://archiv.ub.uni-heidelberg.de/volltextserver/22886/

Hong, N. C. (2017, May). Software sustainability - guidelines for the selfish scientist. https://doi.org/10.6084/m9.figshare.4962950.v1

Jones, M. B., Boettiger, C., Mayes, A. C., Smith, A., Slaughter, P., Niemeyer, K., … Goble, C. (2017). CodeMeta: an exchange schema for software metadata. Version 2.0. https://doi.org/10.5063/schema/codemeta-2.0

Knoth, C., & Nüst, D. (2017). Reproducibility and Practical Adoption of GEOBIA with Open-Source Software in Docker Containers. Remote Sensing, 9(3). https://doi.org/10.3390/rs9030290

Levin, N., & Leonelli, S. (2017). How Does One “Open” Science? Questions of Value in Biological Research. Science, Technology, & Human Values, 42(2), 280–305. https://doi.org/10.1177/0162243916672071

Nuest, D., Konkol, M., Schutzeichel, M., Pebesma, E., Kray, C., Przibytzin, H., & Lorenz, J. (2017). Opening the Publication Process with Executable Research Compendia. D-Lib Magazine, 23(1/2). https://doi.org/10.1045/january2017-nuest

Scheliga, K. S., Pampel, H., Bernstein, E., Bruch, C., zu Castell, W., Diesmann, M., … Steglich, D. (2017). Helmholtz Open Science Workshop „Zugang zu und Nachnutzung von wissenschaftlicher Software“ #hgfos16 : Report ; November 2016. Potsdam: Deutsches GeoForschungsZentrum GFZ. https://doi.org/10.2312/lis.17.01

Software Source Code IG (Ed.). (2017a). Software Source Code IG. (Software Source Code IG). Retrieved from https://www.rd-alliance.org/groups/software-source-code-ig

Software Source Code IG (Ed.). (2017b). Software Source Code IG. (Software Source Code IG). Retrieved from https://www.rd-alliance.org/groups/software-source-code-ig

Artaza, H., Chue Hong, N., Corpas, M., Corpuz, A., Hooft, R., Jimenez, R., … Vaughan, D. (2016). Top 10 metrics for life science software good practices version 1; referees: 2 approved. F1000Research, 5(2000). https://doi.org/10.12688/f1000research.9206.1

Borgman, C. L., Golshan, M. S., Sands, A. E., Wallis, J. C., Cummings, R. L., Darch, P. T., & Randles, B. M. (2016). Data Management in the Long Tail: Science, Software, and Service. IJDC, 11(1), 128–149. https://doi.org/10.2218/ijdc.v11i1.428

Burgess, L. C., Crotty, D., de Roure, D., Gibbons, J., Goble, C., Missier, P., … O’Beirne, R. (2016). ALAN TURING INSTITUTE SYMPOSIUM ON REPRODUCIBILITY FOR DATA-INTENSIVE RESEARCH--FINAL REPORT.

Druskat, S. (2016). A Proposal for the Measurement and Documentation of Research Software Sustainability in Interactive Metadata Repositories. CoRR. Retrieved from http://arxiv.org/abs/1608.04529

Fehr, J., and Jan Heiland, Himpe, C., & Saak, J. (2016). Best practices for replicability, reproducibility and reusability of computer-based experiments exemplified by model reduction software. AIMS Mathematics, 1(3), 261--281. https://doi.org/10.3934/math.2016.3.261

Hettrick, S. (2016). Research Software Sustainability: Report on a Knowledge Exchange Workshop. Retrieved from http://repository.jisc.ac.uk/6332/1/Research_Software_Sustainability_Report_on_KE_Workshop_Feb_2016_FINAL.pdf

Howison, J., & Bullard, J. (2016). Software in the scientific literature: Problems with seeing, finding, and using software mentioned in the biology literature. Journal of the Association for Information Science and Technology, 67(9), 2137--2155. https://doi.org/10.1002/asi.23538

Katz, D. S., Niemeyer, K. E., Smith, A. M., Anderson, W. L., Boettiger, C., Hinsen, K., … Rios, F. (2016). Software vs. data in the context of citation. PeerJ Preprints, 4, e2630v1. https://doi.org/10.7287/peerj.preprints.2630v1

Pizzi, G., Cepellotti, A., Sabatini, R., Marzari, N., & Kozinsky, B. (2016). AiiDA: automated interactive infrastructure and database for computational science. Computational Materials Science, 111, 218–230. https://doi.org/https://doi.org/10.1016/j.commatsci.2015.09.013

Smith, A. M., Katz, D. S., & Niemeyer, K. E. (2016). Software citation principles. PeerJ Computer Science, 2, e86. https://doi.org/https://doi.org/10.7717/peerj-cs.86

Stodden, V., McNutt, M., Bailey, D. H., Deelman, E., Gil, Y., Hanson, B., … Taufer, M. (2016). Enhancing reproducibility for computational methods. Science, 354(6317), 1240–1241. https://doi.org/10.1126/science.aah6168

Stodden, Victoria, McNutt, M., Bailey, D. H., Deelman, E., Gil, Y., Hanson, B., … Taufer, M. (2016). Enhancing reproducibility for computational methods. Science, 354(6317), 1240–1241. https://doi.org/10.1126/science.aah6168

Van den Eynden, V., Knight, G., Vlad, A., Radler, B., Tenopir, C., Leon, D., … Corti, L. (2016). Survey of Wellcome researchers and their attitudes to open research. (figshare, figshare, Ed.). https://doi.org/10.6084/m9.figshare.4055448.v1

Wilson, G., Bryan, J., Cranston, K., Kitzes, J., Nederbragt, L., & Teal, T. K. (2016). Good Enough Practices in Scientific Computing. CoRR, abs/1609.00037. Retrieved from http://arxiv.org/abs/1609.00037

Ahalt, S., Carsey, T., Couch, A., Hooper, R., Ibanez, L., Idaszak, R., … Robinson, E. (2015). NSF Workshop on Supporting Scientific Discovery Through Norms and Practices for Software and Data Citation and Attribution. USA: National Science Foundation.

Allen, A., Berriman, G. B., DuPrie, K., Mink, J., Nemiroff, R., Robitaille, T., … Wallin, J. (2015). Improving Software Citation and Credit. Retrieved from http://arxiv.org/abs/1512.07919

Boettiger, C. (2015). An Introduction to Docker for Reproducible Research. SIGOPS Oper. Syst. Rev., 49(1), 71--79. https://doi.org/10.1145/2723872.2723882

McPhillips, T., Song, T., Kolisnik, T., Aulenbach, S., Belhajjame, K., Bocinsky, K., … Ludaescher, B. (2015). YesWorkflow: A User-Oriented, Language-Independent Tool for Recovering  Workflow Information from Scripts. Retrieved from http://arxiv.org/abs/1502.02403

Corpas, M., Jimenez, R., Carbon, S. J., García, A., Garcia, L., Goldberg, T., … Hermjakobb, H. (2014). BioJS: an open source standard for biological visualisation – its status in 2014. F1000Research, 3(55). https://doi.org/0.12688/f1000research.3-55.v1

Goodman, A., Pepe, A., Blocker, A. W., Borgman, C. L., Cranmer, K., Crosas, M., … Slavkovic, A. (2014). 10 Simple Rules for the Care and Feeding of Scientific Data. https://doi.org/10.1371/journal.pcbi.1003542

Umweltbundesamt (Ed.). (2014). Dokumentation des Fachgesprächs „Nachhaltige Software“ am 28.11.2014. (Umweltbundesamt). Retrieved from http://www.umweltbundesamt.de/sites/default/files/medien/378/publikationen/dokumentation_fachgespraech_nachhaltige_software.pdf

Castagné, M. (2013). Institutional repository software comparison: DSpace, EPrints, Digital Commons, Islandora and HydraR. doi: http: / / dx. doi. org /. Retrieved from https://open.library.ubc.ca/cIRcle/collections/graduateresearch/42591/items/1.0075768

Fomel, S., Sava, P., Vlad, I., Liu, Y., & Bashkardin, V. (2013). Madagascar: open-source software project for multidimensional data analysis and reproducible computational experiments. Journal of Open Research Software, 1(1). https://doi.org/10.5334/jors.ag

Joppa, L. N., McInerny, G., Harper, R., Salido, L., Takeda, K., O’Hara, K., … Emmott, S. (2013). Troubling Trends in Scientific Software Use. Science, 340(6134), 814--815. https://doi.org/10.1126/science.1231535

Pradal, C., Varoquaux, G., & Langtangen, H. P. (2013). Publishing scientific software matters. J. Comput. Science, 4(5), 311–312. https://doi.org/10.1016/j.jocs.2013.08.001

Ram, K. (2013). Git can facilitate greater reproducibility and increased transparency in science. Source Code for Biology and Medicine, 8(1), 7. https://doi.org/10.1186/1751-0473-8-7

Sandve, G. K., Nekrutenko, A., Taylor, J., & Hovig, E. (2013). Ten Simple Rules for Reproducible Computational Research. PLOS Computational Biology, 9(10), 1–4. https://doi.org/10.1371/journal.pcbi.1003285

Winn, J. (2013). Research Data Management using CKAN: A Datastore, Data Repository and Data Catalogue. In IASSIST Conference. IASSIST. Retrieved from http://dblp.uni-trier.de/db/conf/iassist/iassist2013.html#Winn13

Pebesma, E., Nüst, D., & Bivand, R. (2012). The R software environment in reproducible geoscientific research. Eos, Transactions American Geophysical Union, 93(16), 163--163. https://doi.org/10.1029/2012EO160003

Spatzier, T., Binz, T., Leyman, F., & Breiter, G. (2012). Portable Cloud Services Using TOSCA. IEEE Internet Computing, 16, 80–85. https://doi.org/doi.ieeecomputersociety.org/10.1109/MIC.2012.43

Hanson, B., Sugden, A., & Alberts, B. (2011). Making Data Maximally Available. Science, 331(6018), 649. https://doi.org/10.1126/science.1203354

Stodden, Victoria. (2010). The Scientific Method in Practice: Reproducibility in the Computational Sciences (No. MIT Sloan Research Paper No. 4773-10). (M. S. R. P. N. 4773-10, M. S. R. P. N. 4773-10, Ed.). https://doi.org/10.2139/ssrn.1550193

Deelman, E., Gannon, D., Shields, M., & Taylor, I. (2009). Workflows and e-Science: An overview of workflow system features and capabilities. Future Generation Computer Systems, 25(5), 528–540. https://doi.org/https://doi.org/10.1016/j.future.2008.06.012

Roure, D. D., Goble, C., & Stevens, R. (2009). The design and realisation of the Experimentmy Virtual Research Environment for social sharing of workflows. Future Generation Computer Systems, 25(5), 561–567. https://doi.org/https://doi.org/10.1016/j.future.2008.06.010

McCullough, B. D., McGeary, K. A., & Harrison, T. D. (2008). Do Economics Journal Archives Promote Replicable Research? The Canadian Journal of Economics / Revue Canadienne d’Economique, 41(4), 1406–1420. Retrieved from http://www.jstor.org/stable/25478330

Wheeler, D. A. (2007). The Free-Libre / Open Source Software (FLOSS) License Slide.

McGeary, K. A., McCullough, B. D., & Harrison, T. (2006). Lessons from the JMCB archive. Journal of Money Credit and Banking, 38(4), 1093–1107. https://doi.org/10.1353/mcb.2006.0061

Erdmann, C., Simons, N., Otsuji, R., Labou, S., Johnson, R., Castelao, G., … Dennis, T. (2019). Top 10 FAIR Data & Software Things. https://doi.org/10.5281/zenodo.2555498

Fuller, A., Omidiji, Y., Viefhaus, T., Maier, J., & Scheffknecht, G. (2019). The impact of an additive on fly ash formation/transformation from wood dust combustion in a lab-scale pulverized fuel reactor. Renewable Energy, 136, 732–745. https://doi.org/https://doi.org/10.1016/j.renene.2019.01.013

Hallmen, P. P., Rauhut, G., Stoll, H., Mitrushchenkov, A. O., & Van Slageren, J. (2018). Crystal Field Splittings in Lanthanide Complexes: Inclusion of Correlation Effects beyond Second Order Perturbation Theory. J. Chem. Theory Comput., 14(8), 3998–4009. https://doi.org/10.1021/acs.jctc.8b00184

Neubauer, Y., Gredinger, A., Borgmeyer, J., Kleinhappl, M., & Biollaz, S. M. A. (2018). Comparison of two on-line tar-monitoring devices with off-line liquid sample tar-analysis operated on a test gas generation system applying ethene pyrolysis. Biomass and Bioenergy, 117, 63–70. https://doi.org/https://doi.org/10.1016/j.biombioe.2018.07.009

Plaza, P., Maier, J., Maj, I., Gadek, W., & Kalisz, S. (2018). Potassium and chlorine distributions in high temperature halloysite formed deposits. In Tagungsband: 13th International Conference on Boiler Technology. 23.-26. Oktober 2018 , Szczyrk – Orle Gniazdo, Poland.

Samad, A., Vogt, U., & Laquai, B. (2018). Outdoor air quality measurements using low cost particulate matter sensors. Scientific Research Abstracts; Vol. 8; III  International Conference on Atmospheric Dust - Dust 2018, 137.

Schmid, M., Seitz, T., Waizmann, G., Spörl, R., & Scheffknecht, G. (2018). Fluidized bed steam-oxygen gasification of dried sewage sludge: reduction of tar and H2S with limestone as bed additive. In 27th International Conference on the Impact of Fuel Quality on Power Production and the Environment. Lake Louise, Kanada.

Schmid, M., Beirow, M., Schweitzer, D., Waizmann, G., Spörl, R., & Scheffknecht, G. (2018). Product gas composition for steam-oxygen fluidized bed gasification of dried sewage sludge, straw pellets and wood pellets and the influence of limestone as bed material. Biomass and Bioenergy, 117, 71–77. https://doi.org/https://doi.org/10.1016/j.biombioe.2018.07.011

Tahir, M., Tenbohlen, S., & Miyazaki, S. (2018). Optimization of FRA by an Improved Numerical Winding Model: Disk Space Variation.

Youssefi, R., Maier, J., Merli, S., & Scheffknecht, G. (2018). Evaluation of the Ignition and Combustion Behavior of Solid Fuels with the Support of a Plasma Torch. In Tagungsband: Kraftwerkstechnik 2018, Power Plant Technology (pp. 345–356). 23.-24.10.2018, Dresden.

Zhang, P., Perfetti, M., Kern, M., Hallmen, P. P., Ungur, L., Lenz, S., … Van Slageren, J. (2018). Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes. Chem. Sci., 9(5), 1221–1230. https://doi.org/10.1039/c7sc04873d

Ziegler, B., & Rauhut, G. (2018). Rigorous use of symmetry within the construction of multidimensional potential energy surfaces. J. Chem. Phys., 149(16), 164110. https://doi.org/10.1063/1.5047912

Hallmen, P. P., Köppl, C., Rauhut, G., Stoll, H., & Van Slageren, J. (2017). Fast and reliable ab initio calculation of crystal field splittings in lanthanide complexes. J. Chem. Phys., 147(16), 164101. https://doi.org/10.1063/1.4998815

Petrenko, T., & Rauhut, G. (2017a). A General Approach for Calculating Strongly Anharmonic Vibronic Spectra with a High Density of States: The X̃²B₁←X̃¹A₁Photoelectron Spectrum of Difluoromethane. J. Chem. Theory Comput., 13(11), 5515–5527. https://doi.org/10.1021/acs.jctc.7b00468

Petrenko, T., & Rauhut, G. (2017b). A new efficient method for the calculation of interior eigenpairs and its application to vibrational structure problems. J. Chem. Phys., 146(12), 124101. https://doi.org/10.1063/1.4978581

Samad, A., & Vogt, U. (2017). Dreidimensionale Beobachtungen der Luftqualität in Stuttgart im Rahmen des BMBF-Projekts 3DO. In Tagungsband: 36. Sitzung des Arbeitskreises Klima (p. 15). 27.10.2017, Rauischholzhausen.

Baumbach, G., Wejbera, B., Vogt, U., & Fischer, G. (2016). Investigation of particulate matter and mould spores in horse stables. Scientific Research Abstracts; Vol. 5;  II International Conference on Atmospheric Dust – DUST 2016, 166.

Gündemir-Durmaz, T., Schmid, F., El Baz, Y., Häusser, A., Schneider, C., Bilitewski, U., … Laschat, S. (2016). Truncated borrelidin analogues: Synthesis by sequential cross metathesis/olefination for the southern fragment and biological evaluation. Org. Biomol. Chem., 14(35), 8261–8269. https://doi.org/10.1039/c6ob01358a

Liu, Q., Li, H., Wu, Z., Li, D., Beckers, H., Rauhut, G., & Zeng, X. (2016). Photolysis of Carbonyl Diisocyanate: Generation of Isocyanatocarbonyl Nitrene and Diazomethanone. Chem. - An Asian J., 11(20), 2953–2959. https://doi.org/10.1002/asia.201601073

Ostrowski, L., Ziegler, B., & Rauhut, G. (2016). Tensor decomposition in potential energy surface representations. J. Chem. Phys., 145(10), 104103. https://doi.org/10.1063/1.4962368

Vogt, U., Mezger, A., Baumbach, G., & Dreher, W. (2016). Particulate matter source identification and spatial distribution around the high polluted traffic site at Stuttgart Neckartor in southern Germany. Scientific Research Abstracts; Vol. 5;  II International Conference on Atmospheric Dust – DUST 2016, 156.

Vogt, U., & Reuter, U. (2016). Spatial distribution of particulate matter and NO2 along the busy federal highway B14 in the city of Stuttgart – Results of mobile and diffusive sampler measurements. In Tagungsband: 10th International Conference on Air Quality Science and Application (p. 71). 15.03.2016 Mailand, Italien.

Zheng, J., Baumbach, G., Vogt, U., & Scheffknecht, G. (2016). Outdoor and indoor measurements of biomass combustion induced black carbon, CO and PAH in a residential area. In Tagungsband: 10th International Conference on Air Quality Science and Application (p. 121). 15.03.2016 Mailand, Italien.

Ziegler, B., & Rauhut, G. (2016). Efficient generation of sum-of-products representations of high-dimensional potential energy surfaces based on multimode expansions. J. Chem. Phys., 144(11), 114114. https://doi.org/10.1063/1.4943985

Meier, P., & Rauhut, G. (2015). Comparison of methods for calculating Franck-Condon factors beyond the harmonic approximation: How important are Duschinsky rotations? Mol. Phys., 113(23), 3859–3873. https://doi.org/10.1080/00268976.2015.1074740

Meier, P., Oschetzki, D., Pfeiffer, F., & Rauhut, G. (2015). Towards an automated and efficient calculation of resonating vibrational states based on state-averaged multiconfigurational approaches. J. Chem. Phys., 143(24), 244111. https://doi.org/10.1063/1.4938280

Petrenko, T., & Rauhut, G. (2015). Time-independent eigenstate-free calculation of vibronic spectra beyond the harmonic approximation. J. Chem. Phys., 143(23), 234106. https://doi.org/10.1063/1.4937380

Rauhut, Guntram. (2015). Anharmonic Franck-Condon Factors for the X̃²B₁ ← X̃¹A₁ Photoionization of Ketene. J. Phys. Chem. A, 119(41), 10264–10271. https://doi.org/10.1021/acs.jpca.5b06922

Meier, P., Oschetzki, D., Berger, R., & Rauhut, G. (2014). Transformation of potential energy surfaces for estimating isotopic shifts in anharmonic vibrational frequency calculations. J. Chem. Phys., 140(18), 184111. https://doi.org/10.1063/1.4874849

Neff, M., & Rauhut, G. (2014). Towards black-box calculations of tunneling splittings obtained from vibrational structure methods based on normal coordinates. Spectrochim. Acta - Part A Mol. Biomol. Spectrosc., 119, 100–106. https://doi.org/10.1016/j.saa.2013.02.033

Perrin, A., Floresantognini, A., Zeng, X., Beckers, H., Willner, H., & Rauhut, G. (2014). Vibrational spectrum and gas-phase structure of disulfur dinitride (S₂N₂). Chem. - A Eur. J., 20(33), 10323–10331. https://doi.org/10.1002/chem.201402404

Pfeiffer, F., & Rauhut, G. (2014). Multi-reference vibration correlation methods. J. Chem. Phys., 140(6), 064110. https://doi.org/10.1063/1.4865098

Dienberg, L., Haug, J., Rauhut, G., & Roduner, E. (2013). Hydrogen storage by physisorption on dodecahydro-closo-dodecaboranes. Phys. Chem. Chem. Phys., 15(16), 5836–5843. https://doi.org/10.1039/c3cp43848a

Meier, P., Bellchambers, G., Klepp, J., Manby, F. R., & Rauhut, G. (2013). Modeling of high-order terms in potential energy surface expansions using the reference-geometry Harris-Foulkes method. Phys. Chem. Chem. Phys., 15(25), 10233–10240. https://doi.org/10.1039/c3cp50172h

Neff, M., Oschetzki, D., Yudin, Y., Dorozhko, Y., Currle-Linde, N., Resch, M., & Rauhut, G. (2013). Efficient Calculation of Multi-dimensional Potential Energy Surfaces of Molecules and Molecular Clusters. In Nagel, WE and Kroner, DH and Resch, MM, Nagel, WE and Kroner, DH and Resch, MM (Ed.), High Perform. Comput. Sci. Eng. ‘13 (pp. 219–230). https://doi.org/10.1007/978-3-319-02165-2_16

Pfeiffer, F., Rauhut, G., Feller, D., & Peterson, K. A. (2013). Anharmonic zero point vibrational energies: Tipping the scales in accurate thermochemistry calculations? J. Chem. Phys., 138(4), 044311. https://doi.org/10.1063/1.4777568

Banert, K., Berndt, C., Hagedorn, M., Liu, H., Anacker, T., Friedrich, J., & Rauhut, G. (2012). Experimental and theoretical studies on the synthesis, spectroscopic data, and reactions of formyl azide. Angew. Chemie - Int. Ed., 51(19), 4718–4721. https://doi.org/10.1002/anie.201200029

Meier, P., Broghammer, F., Latendorf, K., Rauhut, G., & Peters, R. (2012). Cooperative Al(salen)-pyridinium catalysts for the asymmetric synthesis of trans-configured β-lactones by ［2+2］-cyclocondensation of acylbromides and aldehydes: Investigation of pyridinium substituent effects. Molecules, 17(6), 7121–7150. https://doi.org/10.3390/molecules17067121

Oschetzki, D., Neff, M., Meier, P., Pfeiffer, F., & Rauhut, G. (2012). Selected Aspects Concerning the Efficient Calculation of Vibrational Spectra beyond the Harmonic Approximation. Croat. Chem. Acta, 85(4), 379–390. https://doi.org/10.5562/cca2149

Botschwina, P., Oswald, R., & Rauhut, G. (2011). Explicitly correlated coupled cluster calculations for the propargyl cation (H₂C₃H⁺) and related species. Phys. Chem. Chem. Phys., 13(17), 7921–7929. https://doi.org/10.1039/c1cp20206e

Heislbetz, S., Pfeiffer, F., & Rauhut, G. (2011). Configuration selection within vibrational multiconfiguration self-consistent field theory: Application to bridged lithium compounds. J. Chem. Phys., 134(20), 204108. https://doi.org/10.1063/1.3593714

Meier, P., Neff, M., & Rauhut, G. (2011). Accurate vibrational frequencies of borane and its isotopologues. J. Chem. Theory Comput., 7(1), 148–152. https://doi.org/10.1021/ct1004752

Neff, M., Hrenar, T., Oschetzki, D., & Rauhut, G. (2011). Convergence of vibrational angular momentum terms within the Watson Hamiltonian. J. Chem. Phys., 134(6), 064105. https://doi.org/10.1063/1.3551513

Pfeiffer, F., & Rauhut, G. (2011). Anharmonic frequencies of CX₂Y₂(X, Y = O, N, F, H, D) isomers and related systems obtained from vibrational multiconfiguration self-consistent field theory. J. Phys. Chem. A, 115(40), 11050–11056. https://doi.org/10.1021/jp2064062

Rodriguez-Betancourtt, V. M., Quezada-Navarro, V. M., Neff, M., & Rauhut, G. (2011). Anharmonic frequencies of ［F, C, N, X］ isomers (X = O, S) obtained from explicitly correlated coupled-cluster calculations. Chem. Phys., 387(1–3), 1–4. https://doi.org/10.1016/j.chemphys.2011.06.015

Sielk, J., Von Horsten, H. F., Hartke, B., & Rauhut, G. (2011). Towards automated multi-dimensional quantum dynamical investigations of double-minimum potentials: Principles and example applications. Chem. Phys., 380(1–3), 1–8. https://doi.org/10.1016/j.chemphys.2010.06.018

Theurer, M., El Baz, Y., Koschorreck, K., Urlacher, V. B., Rauhut, G., Baro, A., & Laschat, S. (2011). Chemoenzymatic synthesis of the C3-C11-fragment of borrelidin. European J. Org. Chem., (22), 4241–4249. https://doi.org/10.1002/ejoc.201100412

Heislbetz, S., & Rauhut, G. (2010). Vibrational multiconfiguration self-consistent field theory: Implementation and test calculations. J. Chem. Phys., 132(12), 124102. https://doi.org/10.1063/1.3364861

Knowles, P. J., Rauhut, G., & Stoll, H. (2010). Hans-Joachim Werner. Mol. Phys., 108(3–4), 221–222. https://doi.org/10.1080/00268971003718284

Rajagopalan, S., Asthalter, T., Rabe, V., Laschat, S., Rauhut, G., & Roduner, E. (2010). Vibrational dynamics of a trinuclear oxo-bridged iron complex as studied by nuclear inelastic scattering, Mössbauer spectroscopy and DFT calculations. In Muller, H and Reissner, M and Steiner, W and Wiesinger, G, Muller, H and Reissner, M and Steiner, W and Wiesinger, G (Ed.), J. Phys. Conf. Ser (Vol. 217, p. 012030). https://doi.org/10.1088/1742-6596/217/1/012030

Santra, S., Stoll, H., & Rauhut, G. (2010). Simultaneous adsorption of benzene and dioxygen in CuHY zeolites as a precursor process to the aerobic oxidation of benzene to phenol. Phys. Chem. Chem. Phys., 12(24), 6345–6351. https://doi.org/10.1039/b921531j

Thierfelder, C., Rauhut, G., & Schwerdtfeger, P. (2010). Relativistic coupled-cluster study of the parity-violation energy shift of CHFClBr. Phys. Rev. A - At. Mol. Opt. Phys., 81(3), 032513. https://doi.org/10.1103/PhysRevA.81.032513

Archipov, T., Santra, S., Ene, A. B., Stoll, H., Rauhut, G., & Roduner, E. (2009). Adsorption of benzene to copper in CuHY zeolite. J. Phys. Chem. C, 113(10), 4107–4116. https://doi.org/10.1021/jp805976a

Neff, M., & Rauhut, G. (2009a). Erratum: Toward large scale vibrational configuration interaction calculations (Journal of Chemical Physics (2009) 131 (124129)). J. Chem. Phys., 131(22), 229901. https://doi.org/10.1063/1.3273188

Neff, M., & Rauhut, G. (2009b). Toward large scale vibrational configuration interaction calculations. J. Chem. Phys., 131(12), 124129. https://doi.org/10.1063/1.3243862

Polly, R., Schimmelpfennig, B., Flörsheimer, M., Kruse, K., Abdelmonem, A., Klenze, R., … Fanghänel, T. (2009). Theoretical investigation of the water/corundum (0001) interface. J. Chem. Phys., 130(6), 064702. https://doi.org/10.1063/1.3052074

Rauhut, Guntram, Knizia, G., & Werner, H. J. (2009). Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory. J. Chem. Phys., 130(5), 054105. https://doi.org/10.1063/1.3070236

Rauhut, Guntram, & Hartke, B. (2009). Modeling of high-order many-mode terms in the expansion of multidimensional potential energy surfaces: Application to vibrational spectra. J. Chem. Phys., 131(1), 014108. https://doi.org/10.1063/1.3160668

Santra, S., Archipov, T., Ene, A. B., Komnik, H., Stoll, H., Roduner, E., & Rauhut, G. (2009). Adsorption of dioxygen to copper in CuHY zeolite. Phys. Chem. Chem. Phys., 11(39), 8855–8866. https://doi.org/10.1039/b904152d

Heislbetz, S., Schwerdtfeger, P., & Rauhut, G. (2007). Vibrational spectra obtained from high quality potential energy surfaces spanned by low level normal coordinates: Application to CHFClI and CDFClI. Mol. Phys., 105(10), 1385–1394. https://doi.org/10.1080/00268970701348741

Rauhut, Guntram. (2007). Configuration selection as a route towards efficient vibrational configuration interaction calculations. J. Chem. Phys., 127(18), 184109. https://doi.org/10.1063/1.2790016

Rauhut, Guntram, Barone, V., & Schwerdtfeger, P. (2006). Vibrational analyses for CHFCIBr and CDFCIBr based on high level ab initio calculations. J. Chem. Phys., 125(5), 054308. https://doi.org/10.1063/1.2236112

Von Horsten, H. F., Rauhut, G., & Hartke, B. (2006). Fingerprints of delocalized transition states in quantum dynamics. J. Phys. Chem. A, 110(48), 13014–13021. https://doi.org/10.1021/jp063051c

Figgen, D., Rauhut, G., Dolg, M., & Stoll, H. (2005). Energy-consistent pseudopotentials for group 11 and 12 atoms: Adjustment to multi-configuration Dirac-Hartree-Fock data. Chem. Phys., 311(1-2 SPEC.ISS.), 227–244. https://doi.org/10.1016/j.chemphys.2004.10.005

Hrenar, T., Werner, H. J., & Rauhut, G. (2005). Towards accurate ab initio calculations on the vibrational modes of the alkaline earth metal hydrides. Phys. Chem. Chem. Phys., 7(17), 3123–3125. https://doi.org/10.1039/b508779a

Pflüger, K., Paulus, M., Jagiella, S., Burkert, T., & Rauhut, G. (2005). Multi-level vibrational SCF calculations and FTIR measurements on furazan. Theor. Chem. Acc., 114(4–5), 327–332. https://doi.org/10.1007/s00214-005-0678-4

Schweiger, S., Hartke, B., & Rauhut, G. (2005). Double proton transfer reactions at the transition from a concerted to a stepwise mechanism: A comparative ab initio study. Phys. Chem. Chem. Phys., 7(3), 493–500. https://doi.org/10.1039/b415528a

Kluner, T., & Rauhut, G. (2004). Theoretical chemistry 2003. Nachr. Chem., 52(3), 313–316.

Rauhut, Guntram. (2004). Efficient calculation of potential energy surfaces for the generation of vibrational wave functions. J. Chem. Phys., 121(19), 9313–9322. https://doi.org/10.1063/1.1804174

Schweiger, S., Hartke, B., & Rauhut, G. (2004). Analysis and dynamics of unusual double proton transfer reactions based on the reaction path Hamiltonian. Phys. Chem. Chem. Phys., 6(13), 3341–3349. https://doi.org/10.1039/b402534b

Hübner, G., Rauhut, G., Stoll, H., & Roduner, E. (2003). Ethyne Adsorbed on CuNaY Zeolite:  FTIR Spectra and Quantum Chemical Calculations. J. Phys. Chem. B, 107(33), 8568–8573. https://doi.org/10.1021/jp034304u

Nilsson Lill, S. O., Rauhut, G., & Anders, E. (2003). Chemical reactivity controlled by negative hyperconjugation: A theoretical study. Chem. - A Eur. J., 9(13), 3143–3153. https://doi.org/10.1002/chem.200304878

Rauhut, Guntram. (2003). Modulation of reaction barriers by generating reactive intermediates: Double proton transfer reactions. Phys. Chem. Chem. Phys., 5(5), 791–800. https://doi.org/10.1039/b208960b

Figgen, D., Metz, B., Stoll, H., & Rauhut, G. (2002). Transferable scaling factors for vibrational force fields of halogenated molecules based on energy-consistent pseudopotentials. J. Phys. Chem. A, 106(29), 6810–6816. https://doi.org/10.1021/jp014557s

Gastilovich, E. A., Serov, S. A., Korol’kova, N. V., Klimenko, V. G., & Rauhut, G. (2002). Vibronic-spin-orbit coupling in 1,3,6,8-tetrachlorodibenzo-p-dioxin. Opt. Spectrosc., 92(4), 524–531. https://doi.org/10.1134/1.1473591

Hübner, G., Rauhut, G., Stoll, H., & Roduner, E. (2002). FTIR measurements and quantum chemical calculations of ethylene adsorbed on CuNaY. Phys. Chem. Chem. Phys., 4(13), 3112–3121. https://doi.org/10.1039/b111571e

Magnko, L., Schweizer, M., Rauhut, G., Schütz, M., Stoll, H., & Werner, H. J. (2002). A comparison of metallophilic attraction in (X-M-PH₃)₂(M = Cu, Ag, Au; X = H, Cl). Phys. Chem. Chem. Phys., 4(6), 1006–1013. https://doi.org/10.1039/b110624d

Rauhut, G., & Werner, H. J. (2001). Analytical energy gradients for local coupled-cluster methods. Phys. Chem. Chem. Phys., 3(22), 4853–4862. https://doi.org/10.1039/b105126c

Stevens, J., Schweizer, M., & Rauhut, G. (2001). Toward an understanding of the furoxan-dinitrosoethylene equilibrium. J. Am. Chem. Soc., 123(30), 7326–7333. https://doi.org/10.1021/ja010792c

Rauhut, G, & Eckert, F. (2000). Quantum chemical studies on heterocyclic rearrangements in benzofuroxans: Reaction paths, vibrational spectra, and rate constants. In Krause, E and Jager, W, Krause, E and Jager, W (Ed.), HIGH Perform. Comput. Sci. Eng. `99 (pp. 183–193). High Performance Comp Ctr Stuttgart.

Eckert, F., Rauhut, G., Katritzky, A. R., & Steel, P. J. (1999). A theoretical and experimental study of the molecular rearrangement of 5-methyl-4-nitrobenzofuroxan. J. Am. Chem. Soc., 121(28), 6700–6711. https://doi.org/10.1021/ja990475u

Rauhut, G, & Eckert, F. (1999). Quantum chemical studies on the reactivity of electron-rich heterocycles: Benzofuroxans. Sci. Prog., 82, 209–231.

Rauhut, Guntram, & Eckert, F. (1999). A computational study on the mechanism and kinetics of the pyrolysis of 2-nitrophenyl azide. J. Phys. Chem. A, 103(45), 9086–9092. https://doi.org/10.1021/jp991181y

Rauhut, Guntram, El Azhary, A., Eckert, F., Schumann, U., & Werner, H. J. (1999). Impact of local approximations on MP2 vibrational frequencies. Spectrochim. Acta - Part A Mol. Biomol. Spectrosc., 55(3), 647–658. https://doi.org/10.1016/S1386-1425(98)00268-6

El Azhary, A., Rauhut, G., Pulay, P., & Werner, H. J. (1998). Analytical energy gradients for local second-order Møller-Plesset perturbation theory. J. Chem. Phys., 108(13), 5185–5193. https://doi.org/10.1063/1.475955

Rauhut, Guntram, Pulay, P., & Werner, H. J. (1998). Integral transformation with low-order scaling for large local second-order Møller-Plesset calculations. J. Comput. Chem., 19(11), 1241–1254. https://doi.org/10.1002/(SICI)1096-987X(199808)19:11<1241::AID-JCC4>3.0.CO;2-K

Schütz, M., Rauhut, G., & Werner, H.-J. (1998). Local Treatment of Electron Correlation in Molecular Clusters:  Structures and Stabilities of (H₂O)ₙ , n = 2−4. J. Phys. Chem. A, 102(29), 5997–6003. https://doi.org/10.1021/jp981168y

Rauhut, Guntram, Jarzfcki, A. A., & Pulay, P. (1997). Density functional based vibrational study of conformational isomers: molecular rearrangement of benzofuroxan. J. Comput. Chem., 18(4), 489–500. https://doi.org/10.1002/(SICI)1096-987X(199703)18:4<489::AID-JCC4>3.0.CO;2-P

Rauhut, Guntram, Puyear, S., Wolinski, K., & Pulay, P. (1996). Comparison of nmr shieldings calculated from hartree-fock and density functional wave functions using gauge-including atomic orbitals. J. Phys. Chem., 100(15), 6310–6316. https://doi.org/10.1021/jp9529127

Rauhut, Guntram, & Pulay, P. (1996). Considerations regarding the local treatment of Laplace transform MPPT. Chem. Phys. Lett., 248(3–4), 223–227. https://doi.org/10.1016/0009-2614(95)01321-0

Clark, T., Rauhut, G., & Breindl, A. (1995). A Combined Semiempirical MO/Neural Net Technique for Estimating ¹³C Chemical Shifts. Mol. Model. Annu., 1(1), 22–35. https://doi.org/10.1007/s008940050004

Kozlowski, P. M., Rauhut, G., & Pulay, P. (1995). Potential symmetry breaking, structure and definite vibrational assignment for azulene: Multiconfigurational and density functional results. J. Chem. Phys., 103(13), 5650–5661. https://doi.org/10.1063/1.470547

Rauhut, Guntram, & Pulay, P. (1995a). Identification of Isomers from Calculated Vibrational Spectra. A Density Functional Study of Tetrachlorinated Dibenzodioxins. J. Am. Chem. Soc., 117(14), 4167–4172. https://doi.org/10.1021/ja00119a034

Rauhut, Guntram, Boughton, J. W., & Pulay, P. (1995). Modeling localized electron pair correlation energies. J. Chem. Phys., 103(13), 5662–5673. https://doi.org/10.1063/1.470548

Rauhut, Guntram, & Pulay, P. (1995b). Transferable scaling factors for density functional derived vibrational force fields. J. Phys. Chem., 99(10), 3093–3100. https://doi.org/10.1021/j100010a019

Beck, B., Rauhut, G., & Clark, T. (1994). The natural atomic orbital point charge model for PM3: Multipole moments and molecular electrostatic potentials. J. Comput. Chem., 15(10), 1064–1073. https://doi.org/10.1002/jcc.540151003

Rauhut, Guntram, & Clark, T. (1994). Molecular orbital studies of electron-transfer reactions. J. Chem. Soc. Faraday Trans., 90(12), 1783–1788. https://doi.org/10.1039/FT9949001783

Rauhut, Guntram, Clark, T., & Steinke, T. (1993). A Numerical Self-Consistent Reaction Field (SCRF) Model for Ground and Excited States in NDDO-Based Methods. J. Am. Chem. Soc., 115(20), 9174–9181. https://doi.org/10.1021/ja00073a036

Rauhut, Guntram, & Clark, T. (1993a). Electron-Transfer Reactions: AM1 and ab Initio Studies on Self-Exchange in p-Diaminobenzene Systems. J. Am. Chem. Soc., 115(20), 9127–9135. https://doi.org/10.1021/ja00073a031

Rauhut, Guntram, & Clark, T. (1993b). Multicenter point charge model for high‐quality molecular electrostatic potentials from AM1 calculations. J. Comput. Chem., 14(5), 503–509. https://doi.org/10.1002/jcc.540140502

Austin, C. C., Bloom, T., Dallmeier-Tiessen, S., Khodiyar, V. K., Murphy, F., Nurnberger, A., … Whyte, A. (2017). Key components of data publishing: using current best practices to develop a reference model for data publishing. International Journal on Digital Libraries, 18(2), 77--92. https://doi.org/10.1007/s00799-016-0178-2

Fehr, J., and Jan Heiland, Himpe, C., & Saak, J. (2016). Best practices for replicability, reproducibility and reusability of computer-based experiments exemplified by model reduction software. AIMS Mathematics, 1(3), 261--281. https://doi.org/10.3934/math.2016.3.261

Schembera, B., & Iglezakis, D. (forthcominga). The Genesis of EngMeta - A Metadata Model for Research Data in Computational Engineering. In Metadata and Semantic Research. 12th International Conference, MTSR 2018, Limassol, Cyprus, 23-26 October 2018, Proceedings. Springer.

Schembera, B., & Iglezakis, D. (forthcomingb). The Genesis of EngMeta - A Metadata Model for Research Data in Computational Engineering. In Metadata and Semantic Research. 12th International Conference, MTSR 2018, Limassol, Cyprus, 23-26 October 2018, Proceedings. Springer.

Brown, C., Hong, N. C., & Jackson, M. (2018). Software Deposit And Preservation Policy And Planning Workshop Report. https://doi.org/10.5281/zenodo.1250310

Fowler, D., Barratt, J., & Walsh, P. (2018). Frictionless Data: Making Research Data Quality Visible. International Journal of Digital Curation, 12(2). https://doi.org/10.2218/ijdc.v12i2.577

Group, D. M. W. (2017). DataCite Metadata Schema for the Publication and Citation of Research Data. Version 4.1. https://doi.org/10.5438/0015

Hellerstein, J. M., Sreekanti, V., Gonzalez, J. E., Dalton, J., Dey, A., Nag, S., … others. (2017). Ground: A Data Context Service. In CIDR.

Jones, M. B., Boettiger, C., Mayes, A. C., Smith, A., Slaughter, P., Niemeyer, K., … Goble, C. (2017). CodeMeta: an exchange schema for software metadata. Version 2.0. https://doi.org/10.5063/schema/codemeta-2.0

Schembera, B., & Bönisch, T. (2017). Challenges of Research Data Management for High Performance Computing. In International Conference on Theory and Practice of Digital Libraries (pp. 140--151). Springer. Retrieved from https://link.springer.com/chapter/10.1007/978-3-319-67008-9_12

Wilkinson, M. D., Sansone, S.-A., Schultes, E., Doorn, P., Bonino da Silva Santos, L. O., & Dumontier, M. (2017). A design framework and exemplar metrics for FAIRness. BioRxiv. https://doi.org/10.1101/225490

Kohwalter, T., Oliveira, T., Freire, J., Clua, E., & Murta, L. (2016). Prov Viewer: A Graph-Based Visualization Tool for Interactive Exploration of Provenance Data. In M. Mattoso & B. Glavic, M. Mattoso & B. Glavic (Eds.), Provenance and Annotation of Data and Processes (pp. 71--82). Cham: Springer International Publishing.

Pimentel, J. F., Freire, J., Braganholo, V., & Murta, L. (2016). Tracking and Analyzing the Evolution of Provenance from Scripts. In M. Mattoso & B. Glavic, M. Mattoso & B. Glavic (Eds.), Provenance and Annotation of Data and Processes (pp. 16--28). Cham: Springer International Publishing.

Pizzi, G., Cepellotti, A., Sabatini, R., Marzari, N., & Kozinsky, B. (2016). AiiDA: automated interactive infrastructure and database for computational science. Computational Materials Science, 111, 218–230. https://doi.org/https://doi.org/10.1016/j.commatsci.2015.09.013

Schreiber, A. (2016). Standardisierung eines erweiterbaren Modells für Provenance-Daten (PROV-SPEC), (2016–04).

Wu, K., Coviello, E. N., Flanagan, S. M., Greenwald, M., Lee, X., Romosan, A., … Wright, J. (2016). MPO: A System to Document and Analyze Distributed Heterogeneous Workflows. In M. Mattoso & B. Glavic, M. Mattoso & B. Glavic (Eds.), Provenance and Annotation of Data and Processes (pp. 166--170). Cham: Springer International Publishing.

Belhajjame, K., Zhao, J., Garijo, D., Gable, M., Hettne, K., Palma, R., … Goble, C. (2015). Using a suite of ontologies for preserving workflow-centric research objects. Web Semantics: Science, Services and Agents on the World Wide Web, 32, 16–42. https://doi.org/10.1016/j.websem.2015.01.003

Chao, T. (2015). Mapping Methods Metadata for Research Data. International Journal of Digital Curation, 10(1). https://doi.org/10.2218/ijdc.v10i1.347

Moreau, L., Groth, P., Cheney, J., Lebo, T., & Miles, S. (2015). The rationale of PROV. Web Semantics: Science, Services and Agents on the World Wide Web, 35(4), 235–257. https://doi.org/10.1016/j.websem.2015.04.001

Starr, J., Castro, E., Crosas, M., Dumontier, M., Downs, R. R., Duerr, R., … Clark, T. (2015). Achieving human and machine accessibility of cited data in scholarly publications. PeerJ Computer Science. https://doi.org/10.7717/peerj-cs.1

Farnel, S., & Shiri, A. (2014). Metadata for Research Data: Current Practices and Trends. In W. E. Moen & A. Rushing, W. E. Moen & A. Rushing (Eds.), Dublin Core Conference (pp. 74–82). Dublin Core Metadata Initiative. Retrieved from http://dblp.uni-trier.de/db/conf/dc/dc2014.html#FarnelS14

Grunzke, R., Hesser, J., Starek, J., Kepper, N., Gesing, S., Hardt, M., … Jäkel, R. (2014). Device-Driven Metadata Management Solutions for Scientific Big Data Use Cases. In 22nd Euromicro International Conference on Parallel, Distributed, and Network-Based Processing (pp. 317–321).

Grunzke, R., Breuers, S., Gesing, S., Herres-Pawlis, S., Kruse, M., Blunk, D., … Krüger, J. (2014b). Standards-based metadata management for molecular simulations. Concurrency and Computation: Practice and Experience, 26(10), 1744--1759. https://doi.org/10.1002/cpe.3116

Grunzke, R., Breuers, S., Gesing, S., Herres-Pawlis, S., Kruse, M., Blunk, D., … Krüger, J. (2014a). Standards-based metadata management for molecular simulations. Concurrency and Computation: Practice and Experience, 26(10), 1744–1759. Retrieved from http://dblp.uni-trier.de/db/journals/concurrency/concurrency26.html#GrunzkeBGHKBGPSSSSSMJNA014

Malik, T. (2014). Geobase: Indexing NetCDF Files for large-scale Data Analysis. In Big Data Management, Technologies, and Applications (pp. 295--313). IGI Global. https://doi.org/10.4018/978-1-4666-4699-5.ch012

Tran, H. D., Holt, J., Goodrich, R. W., Mader, J. A., Swain, M., Laity, A. C., … Berriman, G. B. (2014). Metadata and Data Management for the Keck Observatory Archive. https://doi.org/10.1117/12.2054830

Bechhofer, S., Buchan, I., de Roure, D., Missier, P., Ainsworth, J., Bhagat, J., … Goble, C. (2013). Why linked data is not enough for scientists. Future Generation Computer Systems, 29(2), 599–611. https://doi.org/10.1016/j.future.2011.08.004

Lebo, T., Sahoo, S., McGuinness, D., Belhajjame, K., Cheney, J., Corsar, D., … Zhao, J. (2013). PROV-O: The PROV Ontology. Retrieved from https://www.w3.org/TR/prov-o/

Sahoo, S., Lebo, T., & McGuinness, D. (2013). PROV-O: The PROV Ontology. W3C.

Lautenschlager, M., Toussaint, F., Thiemann, H., & Reinke, M. (1998). The CERA-2 data model. Retrieved from https://www.pik-potsdam.de/cera/Descriptions/Publications/Papers/9807_DKRZ_TechRep15/cera2.pdf

für Bildung und Forschung (BMBF), B. (Ed.). (2016). Open Access in Deutschland. (B. für Bildung und Forschung (BMBF)). Retrieved from https://www.bmbf.de/pub/Open_Access_in_Deutschland.pdf