Z. Li. Dataset, (2022)Related to: Li, Z.; Dittmann, D.; Rieg, C.; Benz, M.; Dyballa, M. Confinement and surface sites control methanol adsorbate stability on MFI zeolites, SBA-15, and a silica-supported heteropoly acid. Catalysis Science & Technology 2022, 12 (7), 2265-2277. doi: 10.1039/d1cy02330f.
C. Rieg. Dataset, (2021)Related to: C. Rieg, D. Dittmann, Z. Li, R. Lawitzki, K. Gugeler, S. Maier, G. Schmitz, J. Kästner, D. P. Estes, M. Dyballa, Quantitative Distinction between Noble Metals Located in Mesopores from Those on the External Surface. Chemistry - A Eurorean Journal 2021. doi: 10.1002/chem.202102076.
J. Kästner, M. Kesharwani, I. Elser, J. Musso, and M. Buchmeiser. Dataset, (2021)Related to: Kesharwani, M. K., Elser, I., Musso, J. V., Buchmeiser, M. R., & Kästner, J. “Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst.” Organometallics 39, 3146-3159 (2020). doi: 10.1021/acs.organomet.0c00311.
A. Jaust, and P. Schmidt. Software, (2021)Related to: Schmidt, P., Jaust, A., Steeb, H., and Schulte, M.: "Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach". Computational Geosciences (2022). doi: 10.1007/s10596-021-10120-8.
S. Burbulla, and C. Rohde. Software, (2021)Related to: Samuel Burbulla and Christian Rohde. A Finite-Volume Moving-Mesh Method for Two-phase Flow in Fracturing Porous Media. arXiv: 2103.13320.
J. Kästner, and M. Kesharwani. Dataset, (2021)Related to: Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Mössbauer and Catalysis Approach. Mathis Benedikter, Janis Musso, Manoj K. Kesharwani, K. Leonard Sterz, Iris Elser, Felix Ziegler, Felix Fischer, Bernd Plietker, Wolfgang Frey, Johannes Kästner, Mario Winkler, Joris van Slageren, Michal Nowakowski, Matthias Bauer, and Michael R. Buchmeiser. ACS Catalysis 2020, 10, 24, 14810-14823. doi: 10.1021/acscatal.0c03978.
C. Lohrmann. Dataset, (2021)Related to: M. Lee et al "The influence of motility on bacterial accumulation in a microporous channel", Soft Matter (2021), 10.1039/D0SM01595D. doi: 10.1039/D0SM01595D.
J. Bruckner, and A. Beurer. Dataset, (2021)Related to: Johanna R. Bruckner, Jessica Bauhof, Jacqueline Gebhardt, Ann-Katrin Beurer, Yvonne Traa, and Frank Giesselmann. Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials. J. Phys. Chem. B 2021, 125, 12, 3197-3207. doi: 10.1021/acs.jpcb.0c11005.
H. Acikalin, F. Ziegler, and M. Buchmeiser. Dataset, (2021)Related to: H. Acikalin, F. Ziegler, D. Wang, M. R. Buchmeiser, A Hard Templating Approach to Functional Mesoporous Poly(norborn-2-ene)-Based Monolithic Supports. Macromolecular Chemistry and Physics, 2021, 222, 2100247. doi: 10.1002/macp.202100247.
P. Panyam, B. Atwi, F. Ziegler, W. Frey, M. Nowakowski, M. Bauer, and M. Buchmeiser. Dataset, (2022)Related to: Felix Ziegler, Johannes Teske, Iris Elser, Michael Dyballa, Wolfgang Frey, Hamzeh Kraus, Niels Hansen, Julia Rybka, Ulrich Tallarek, and Michael R. Buchmeiser. Journal of the American Chemical Society 2019 141 (48), 19014-19022. doi: 10.1021/jacs.9b08776.
K. Gugeler, and J. Kästner. Dataset, (2022)Related to: Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, and Michael R. Buchmeiser. Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes. Organometallics 2021 40 (23), 4026-4034. doi: 10.1021/acs.organomet.1c00577.
J. Piotrowski, and J. Huisman. Dataset, (2021)Related to: Piotrowski, Joseph; Huisman, Johan A.; Nachshon, Uri; Pohlmeier, Andreas; Vereecken, Harry. 2020. "Gas Permeability of Salt Crusts Formed by Evaporation from Porous Media" Geosciences 10, no. 11: 423. doi: 10.3390/geosciences10110423.
C. Bringedal, G. Pieters, and C. Duijn. Dataset, (2022)Related to: C. Bringedal, T. Schollenberger, G. J. M. Pieters, C. J. van Duijn, R. Helmig, Evaporation-driven density instabilities in saturated porous media. Transport in Porous Media. 2022. doi: 10.1007/s11242-022-01772-w.
D. Lee, F. Weinhardt, J. Hommel, H. Class, and H. Steeb. Dataset, (2023)Related to: Lee, D., Weinhardt, F., Hommel, J., Piotrovski, J., Class, H., and Steeb, H. (2022). Machine Learning assists in increasing the time resolution of X-Ray Computed Tomography applied to mineral precipitation on porous media. Scientific Reports, to be submitted.
H. Jäger. Software, (2023)Related to: Jäger, Henrik, Alexander Schlaich, Jie Yang, Cheng Lian, Svyatoslav Kondrat und Christian Holm. 2023. A screening of results on the decay length in concentrated electrolytes. Faraday Discussions. Faraday Discussions (Februar). doi: 10.1039/d3fd00043e.
L. Hückmann, and J. Kästner. Dataset, (2023)Related to: Lukas Hückmann, Dr. Sonia Álvarez-Barcia, Marina Fuhrer, Prof. Dr. Bernd Plietker, and Prof. Dr. Johannes Kästner. Ruthenium-Catalyzed Secondary Amine Formation Studied by Density Functional Theory. ChemCatChem2021,13,1383-1388. doi: 10.1002/cctc.202001588.
Z. Trivedi, D. Gehweiler, J. Wychowaniec, T. Ricken, B. Gueorguiev-Rüegg, A. Wagner, and O. Röhrle. Dataset, (2022)Related to: Trivedi, Z., Gehweiler, D., Wychowaniec, J.K., Ricken, T., Gueorguiev, B., Wagner, A., Röhrle, O., 2023. A continuum mechanical porous media model for vertebroplasty: Numerical simulations and experimental validation. Biomech Model Mechanobiol. doi: 10.1007/s10237-023-01715-4.
J. Eller, T. Matzerath, T. Westen, and J. Groß. Dataset, (2021)Related to: Eller, J., Matzerath, T., van Westen, T., & Gross, J. (2021). Predicting solvation free energies in non-polar solvents using classical density functional theory based on the PC-SAFT equation of state. The Journal of chemical physics, 154(24), 244106. doi: 10.1063/5.0051201.
J. Musso, V. Gramm, S. Stein, W. Frey, and M. Buchmeiser. Dataset, (2023)Related to: Musso, J., Gramm, V., Stein, S., Frey, W. and Buchmeiser, M..R. (2022), Molybdenum Alkylidyne Silyloxy N-Heterocyclic Carbene Complexes - Highly Active Alkyne Metathesis Catalysts that can be Handled in Air. Eur. J. Inorg. Chem. 2023, 26, e202200649. doi: 10.1002/ejic.202200649.
N. Segreto, and J. Kästner. Dataset, (2023)Related to: Nico Segreto, Tim M. Schwarz, Carolin A. Dietrich, Patrick Stender, Robin Schuldt, Guido Schmitz, and Johannes Kästner. Understanding the Underlying Field Evaporation Mechanism of Pure Water Tips in High Electrical Fields. J. Phys. Chem. A 2022, 126, 33, 5663-5671. doi: 10.1021/acs.jpca.2c04163.
B. Bursik, J. Eller, and J. Groß. Dataset, (2024)Related to: B. Bursik, J. Eller, J. Gross: Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State. Journal of Physical Chemistry B, (2024). Accepted manuscript.
J. Hommel, and F. Weinhardt. Dataset, (2022)Related to: Hommel, J.; Gehring, L., Weinhardt, F., Ruf, M. & Steeb, H. (2022). Effects of enzymatically induced carbonate precipitation on capillary pressure-saturation relations. Minerals, 12(10), 1186. doi: 10.3390/min12101186.
S. Gravelle, C. Holm, and A. Schlaich. Software, (2023)Related to: Simon Gravelle, Sabina Haber-Pohlmeier, Carlos Mattea, Siegfried Stapf, Christian Holm and Alexander Schlaich: NMR Investigation of Water in Salt Crusts: Insights from Experiments and Molecular Simulations, ChemRxiv, 2023. doi: 10.26434/chemrxiv-2023-6dml7.
S. Burbulla, M. Hörl, and C. Rohde. Software, (2022)Related to: S. Burbulla, M. Hörl, and C. Rohde (2022). "Flow in Porous Media with Fractures of Varying Aperture." Submitted for publication. doi: 10.48550/arXiv.2207.09301.
M. Deimling. Dataset, (2021)Related to: M. Deimling, S. R. Kousik, K. Abitaev, W. Frey, T. Sottmann, K. Koynov, S. Laschat, P. Atanasova (2021): Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh-diene Complexes, ChemCatChem. doi: 10.1002/cctc.202001997.
M. Kirchhof. Dataset, (2022)Related to: Carolin Rieg, Manuel Kirchhof, Katrin Gugeler, Ann-Katrin Beurer, Lukas Stein, Klaus Dirnberger, Wolfgang Frey, Johanna R. Bruckner, Yvonne Traa, Johannes Kästner, Sabine Ludwigs, Sabine Laschat, Michael Dyballa. Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules. Catal. Sci. Technol. 2022, Advance Article. doi: 10.1039/d2cy01578a.
M. Benedikter. Dataset, (2021)Related to: M. J. Benedikter, J. V. Musso, W. Frey, R. Schowner, M. R. Buchmeiser, Group VI Metal Imido Alkylidene N-Heterocyclic Carbene Nitrile Complexes: Bench-Stable, Functional-Group-Tolerant Olefin Metathesis Catalysts. Angew. Chem. Int. Ed. 2021, 60, 1374. doi: 10.1002/anie.202011666.
P. Hauser, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, and Michael R. Buchmeiser. Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes. Organometallics 2021 40 (23), 4026-4034. doi: 10.1021/acs.organomet.1c00577.
M. Lee. Software, (2021)Related to: M. Lee et al "The influence of motility on bacterial accumulation in a microporous channel", Soft Matter (2021), 10.1039/D0SM01595D. doi: 10.1039/D0SM01595D.
K. Weishaupt. Dataset, (2021)Related to: Weishaupt, K., et al. Ä hybrid-dimensional coupled pore-network/free-flow model including pore-scale slip and its application to a micromodel experiment." Transport in Porous Media 135.1 (2020): 243-270. doi: 10.1007/s11242-020-01477-y.
K. Endo, A. Raza, L. Yao, S. Gele, A. Rodríguez-Camargo, H. Vignolo-González, L. Grunenberg, and B. Lotsch. Dataset, (2024)Related to: K. Endo, A. Raza, L. Yao, S. Van Gele, A. Rodríguez-Camargo, H. A. Vignolo-González, L. Grunenberg, B. V. Lotsch, Downsizing Porphyrin Covalent Organic Framework Particles Using Protected Precursors for Electrocatalytic CO2 Reduction. Adv. Mater. 2024, 2313197. doi: 10.1002/adma.202313197.
M. Benedikter. Dataset, (2021)Related to: Mathis Benedikter, Janis Musso, Manoj K. Kesharwani, K. Leonard Sterz, Iris Elser, Felix Ziegler, Felix Fischer, Bernd Plietker, Wolfgang Frey, Johannes Kästner, Mario Winkler, Joris van Slageren, Michal Nowakowski, Matthias Bauer, and Michael R. Buchmeiser, Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach. ACS Catalysis 2020 10 (24), 14810-14823. doi: 10.1021/acscatal.0c03978.
M. Dyballa. Dataset, (2020)Related to: Felix Ziegler, Johannes Teske, Iris Elser, Michael Dyballa, Wolfgang Frey, Hamzeh Kraus, Niels Hansen, Julia Rybka, Ulrich Tallarek, and Michael R. Buchmeiser Journal of the American Chemical Society 2019 141 (48), 19014-19022. doi: 10.1021/jacs.9b08776.
M. Momin, J. Musso, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Mohasin Momin, Janis V. Musso, Wolfgang Frey, and Michael R. Buchmeiser. Tuning the Latent Behavior of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes in Dicyclopentadiene Polymerization, Organometallics 2021, 40, 2, 253-265. doi: 10.1021/acs.organomet.0c00740.
J. Musso, R. Schowner, L. Falivene, L. Cavallo, and M. Buchmeiser. Dataset, (2021)Related to: Musso, J.V., Schowner, R., Falivene, L., Frey, W., Cavallo, L. and Buchmeiser, M.R. (2021), Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes. ChemCatChem. doi: 10.1002/cctc.202101510.
M. Benedikter. Dataset, (2021)Related to: J. De Jesus Silva, D. Mance, M. Pucino, M. J. Benedikter, I. Elser, M. R. Buchmeiser, C. Copéret, Helv. Chim. Acta 2020, 103, e2000161. doi: 10.1002/hlca.202000161.
J. Groos, P. Hauser, M. Koy, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Groos, Jonas; Hauser, Philipp Manuel; Koy, Maximilian; Frey, Wolfgang; Buchmeiser, Michael Rudolf. Highly Reactive Cationic Molybdenum Alkylidyne N-Heterocyclic Carbene Catalysts for Alkyne Metathesis, Organometallics 2021, 40, 8, 1178-1184. doi: 10.1021/acs.organomet.1c00175.
C. Rieg. Dataset, (2021)Related to: C.Rieg, Z.Li, A.Kurtz, M.Schmidt, D.Dittmann, M.Benz, M.Dyballa, A method for the selective quantification of Bronsted acid sites on external surfaces and in mesopores of hierarchical zeolites, J. Phys. Chem. C 2021, 125, 515-525. doi: 10.1021/acs.jpcc.0c09384.
D. Gläser. Dataset, (2020)Related to: I. Berre, W. Boon, B. Flemisch, A. Fumagalli, D. Gläser, E. Keilegavlen, A. Scotti, I. Stefansson, and A. Tatomir. Call for participation: Verification benchmarks for single-phase flow in three-dimensional fractured porous media, 2018. arXiv: 1809.06926.
K. Gugeler, and J. Kästner. Dataset, (2022)Related to: Manuel Kirchhof, Karina Abitaev, Abdulwahab Abouhaileh, Katrin Gugeler, Wolfgang Frey, Anna Zens, Johannes Kästner, Thomas Sottmann, Sabine Laschat. Interplay of Polarity and Confinement in Asymmetric Catalysis with Chiral Rh Diene Complexes in Microemulsions. Chem. Eur. J. 2021, 27, 16853-16870. doi: 10.1002/chem.202102752.
I. Tischler, C. Holm, R. Weeber, M. Kuron, F. Weik, and R. Kaufmann. Software, (2022)Related to: Tischler I, Weik F, Kaufmann R, Kuron M, Weeber R, Holm C. A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems. J. Comput. Sci., 2022, 101770. doi: 10.1016/j.jocs.2022.101770.
K. Gugeler, and J. Kästner. Dataset, (2023)Related to: Manuel Kirchhof, Katrin Gugeler, Ann-Katrin Beurer, Felix Richard Fischer, Derman Batman, Soeren M. Bauch, Sofia Kolin, Elliot Nicholas, Roland Schoch, Charlotte Vogler, Shravan R. Kousik, Anna Zens, Bernd Plietker, Petia Atanasova, Stefan Naumann, Matthias Bauer, Johanna R. Bruckner, Yvonne Traa, Johannes Kästner and Sabine Laschat. Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis. Catal. Sci. Technol., 2023,13, 3709-3724. doi: 10.1039/D3CY00381G.
F. Ziegler. Dataset, (2023)Related to: Felix Ziegler, Johannes Teske, Iris Elser, Michael Dyballa, Wolfgang Frey, Hamzeh Kraus, Niels Hansen, Julia Rybka, Ulrich Tallarek, Michael R. Buchmeiser. Olefin Metathesis in Confined Geometries: A Biomimetic Approach toward Selective Macrocyclization. Journal of the American Chemical Society 2019 141 (48), 19014-19022. doi: 10.1021/jacs.9b08776.
C. Lohrmann, and C. Holm. Software, (2023)Related to: Lohrmann, Holm: Öptimal motility strategies for self-propelled agents to explore porous media" (2023). arXiv: arXiv:2302.06709.
M. Buchmeiser, P. Probst, D. Wang, and P. Hauser. Dataset, (2023)Related to: Buchmeiser, M. R., Probst, P., Wang, D., Hauser, P., Stereoselective Ring-Opening Metathesis Polymerization with Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes. Macromol. Chem. Phys. 2023, 224, 2200350. doi: 10.1002/macp.202200350.
P. Walther, A. Krauß, and S. Naumann. Dataset, (2023)Related to: Patrick Walther, Annabelle Krauß, Dr. Stefan Naumann, Lewis Pair Polymerization of Epoxides via Zwitterionic Species as a Route to High-Molar-Mass Polyethers, Angewandte Chemie 2019 58 (31), 10737-10741. doi: 10.1002/anie.201904806.
K. Gugeler, and J. Kästner. Dataset, (2023)Related to: Koushani Kundu, Janis V. Musso, Mathis J. Benedikter, Wolfgang Frey, Katrin Gugeler, Johannes Kästner and Michael R.Buchmeiser. Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene (CAAC) Complexes for Olefin Metathesis. Chem. Eur. J. 2023, e202301818. doi: 10.1002/chem.202301818.
M. Buchmeiser, D. Imbrich, D. Wang, and S. Naumann. Dataset, (2023)Related to: Michael R. Buchmeiser, Dominik Imbrich, Dongren Wang, Stefan Naumann. Betainic and ionic tungsten (VI) imido alkylidene N-heterocyclic olefin complexes. J. Organomet. Chem. 2023, 991, 122674. doi: 10.1016/j.jorganchem.2023.122674.
K. Kundu, and M. Buchmeiser. Dataset, (2023)Related to: Koushani Kundu, Janis V. Musso, Mathis J. Benedikter, Wolfgang Frey, Katrin Gugeler, Johannes Kästner, Michael R. Buchmeiser. Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene (CAAC) Complexes for Olefin Metathesis. Chem. Eur. J. 2023, e202301818. doi: 10.1002/chem.202301818.
M. Benedikter, and I. Elser. Dataset, (2021)Related to: Iris Elser, Mathis J. Benedikter, Roman Schowner, Wolfgang Frey, Dongren Wang, and Michael R. Buchmeiser, Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes Containing Pyrrolide Ligands: Access to Catalysts with Sterically Demanding Alkoxides. Organometallics 2019 38 (12), 2461-2471. doi: 10.1021/acs.organomet.9b00148.
C. Malacrida. Dataset, (2021)Related to: Claudia Malacrida, Yushi Lu, Klaus Dirnberger, Sergio Gamez-Valenzuela, M. Carmen Ruiz Delgado and Sabine Ludwigs. Towards highly conducting bicarbazole redox polymer films with plateau-like conductivities. J. Mater. Chem. C, 2020,8, 15393-15405. doi: 10.1039/D0TC03090B.
C. Dietrich, R. Schuldt, D. Born, H. Solodenko, G. Schmitz, and J. Kästner. Dataset, (2021)Related to: Carolin A. Dietrich, Robin Schuldt, Daniel Born, Helena Solodenko, Guido Schmitz, and Johannes Kästner "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" The Journal of Physical Chemistry A, 2020 124 (41), 8633-8642. doi: 10.1021/acs.jpca.0c06887.
R. Schowner, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Schowner, R., Frey, W. and Buchmeiser, M.R. (2019), Understanding Synthetic Peculiarities of Cationic Molybdenum(VI) Imido Alkylidene N-Heterocyclic Carbene Complexes. Eur. J. Inorg. Chem., 2019, 1911-1922. doi: 10.1002/ejic.201900021.
K. Gugeler, and J. Kästner. Dataset, (2021)Related to: M. Kirchhof, K. Gugeler, F. R. Fischer, M. Nowakowski, A. Bauer, S. Alvarez-Barcia, K. Abitaev, M. Schnierle, Y. Qawasmi, W. Frey, A. Baro, D. P. Estes, T. Sottmann, M. R. Ringenberg, B. Plietker, M. Bauer, J. Kästner, S. Laschat, Organometallics 2020, 39, 3131-3145. doi: 10.1021/acs.organomet.0c00310.
R. Schowner, I. Elser, and M. Benedikter. Dataset, (2021)Related to: R. Schowner, I. Elser, M. Benedikter, M. Momin, W. Frey, T. Schneck, L. Stöhr, M. R. Buchmeiser, Origin and Use of Hydroxyl Group Tolerance in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalysts. Angew. Chem. Int. Ed. 2020, 59, 951. doi: 10.1002/anie.201913322.
M. Winkler. Dataset, (2021)Related to: M. Winkler, M. Schnierle, F. Ehrlich, K.-I. Mehnert, D. Hunger, A.M. Sheveleva, L. Burkhardt, M. Bauer, F. Tuna, M.R. Ringenberg, J. van Slageren: Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of (dppf)Fe(CO)3+/0, Inorg. Chem. 2021, 60, 5, 2856-2865. doi: 10.1021/acs.inorgchem.0c03259.
C. Rieg. Dataset, (2021)Related to: C. Rieg, D. Dittmann, Z. Li, A. Kurtz, I. Lorenz, D.P. Estes, M. Buchmeiser, M. Dyballa, M. Hunger (2021), "Noble metal location in porous supports determined by reaction with phosphines", Microporous and Mesoporous Materials, Volume 310, (110594). doi: 10.1016/j.micromeso.2020.110594.
M. Kirchhof. Dataset, (2021)Related to: M. Kirchhof, K. Gugeler, F. R. Fischer, M. Nowakowski, A. Bauer, S. Alvarez-Barcia, K. Abitaev, M. Schnierle, Y. Qawasmi, W. Frey, A. Baro, D. P. Estes, T. Sottmann, M. R. Ringenberg, B. Plietker, M. Bauer, J. Kästner, S. Laschat, Organometallics 2020, 39, 3131-3145. doi: 10.1021/acs.organomet.0c00310.
C. Vogler, S. Naumann, and J. Bruckner. Dataset, (2022)Related to: Charlotte Vogler, Stefan Naumann and Johanna R. Bruckner, Predictive design of ordered mesoporous silica with well-defined, ultra-large mesopores, Mol. Syst. Des. Eng., 2022. doi: 10.1039/D2ME00107A.
J. Musso, J. Silva, M. Benedikter, J. Groos, W. Frey, C. Coperet, and M. Buchmeiser. Dataset, (2022)Related to: Janis V. Musso, Jordan De Jesus Silva, Mathis J. Benedikter, Jonas Groos, Wolfgang Frey, Christophe Copéret and Michael R. Buchmeiser. Cationic molybdenum oxo alkylidenes stabilized by N-heterocyclic carbenes: from molecular systems to efficient supported metathesis catalysts, Chem. Sci, 2022. doi: 10.1039/d2sc03321f.
S. Emmerling, F. Ziegler, F. Fischer, R. Schoch, M. Bauer, B. Plietker, M. Buchmeiser, and B. Lotsch. Dataset, (2023)Related to: Sebastian T. Emmerling, Felix Ziegler, Felix R. Fischer, Roland Schoch, Matthias Bauer, Bernd Plietker, Michael R. Buchmeiser, and Bettina V. Lotsch. Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity. Chem. Eur. J. 2022, 28, e2021041. doi: 10.1002/chem.202104108.
L. Freiherr von Wolff. Software, (2021)Related to: C. Rohde and L. von Wolff. A ternary Cahn-Hilliard-Navier-Stokes model for two-phase flow with precipitation and dissolution. Math. Model. Methods Appl. Sci., 31(01):1-35, 2021. doi: 10.1142/S0218202521500019.
T. Koch, H. Wu, and M. Schneider. Software, (2021)Related to: Timo Koch, Hanchuan Wu, Martin Schneider. (2021). Nonlinear mixed-dimension model for embedded tubular networks with application to root water uptake. Journal of Computational Physics, 110823. doi: 10.1016/j.jcp.2021.110823.
P. Probst, I. Elser, R. Schowner, M. Benedikter, and M. Buchmeiser. Dataset, (2021)Related to: Probst, P., Elser, I., Schowner, R., Benedikter, M. J., Buchmeiser, M. R., Regio- and Stereospecific Cyclopolymerization of α,ω-Diynes by Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes. Macromol. Rapid Commun. 2020, 41, 1900398. doi: 10.1002/marc.201900398.
E. Eggenweiler. Dataset, (2021)Related to: Eggenweiler, E. and Rybak, I.: Effective coupling conditions for arbitrary flows in Stokes-Darcy systems, Multiscale Model. Simul., 2021.
M. Schnierle, S. Blickle, V. Filippou, and M. Ringenberg. Dataset, (2021)Related to: Marc Schnierle, Svenja Blickle, Vasileios Filippou, Mark R. Ringenberg: Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels–Alder (iEDDA) addition of dienophiles. Chem. Commun., 2020, 56, 12033. doi: 10.1039/d0cc03805A.
J. Hommel. Software, (2020)Related to: Hommel, J., Akyel A., Phillips, A., Gerlach, R., Cunningham, A. B., Class, H.. A numerical model for enzymatically induced calcium carbonate precipitation (2020). Submitted to Applied Sciences.
I. Elser, R. Schowner, L. Stöhr, K. Herz, M. Benedikter, S. Sen, W. Frey, D. Wang, and M. Buchmeiser. Dataset, (2023)Related to: Iris Elser, Roman Schowner, Laura Stöhr, Katharina Herz, Mathis J. Benedikter, Suman Sen, Wolfgang Frey, Dongren Wang, and Michael R. Buchmeiser. Isomers of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes. Organometallics 2022 41 (10), 1232-1248. doi: 10.1021/acs.organomet.2c00129.
C. Vogler. Dataset, (2023)Related to: Charlotte Vogler, Stefan Naumann. A simplified approach for the metal-free polymerization of propylene oxide. RSC Advances, 2020, 10, 43389-43393. doi: 10.1039/d0ra08970b.
R. Peters. Dataset, (2023)Related to: Hans, A. C., Becker, P. M., Haußmann, J., Suhr, S., Wanner, D. M., Lederer, V., Willig, F., Frey, W., Sarkar, B., Kästner, J., Peters, R., A Practical and Robust Zwitterionic Cooperative Lewis Acid/Acetate/Benzimidazolium Catalyst for Direct 1,4-Additions, Angew. Chem. Int. Ed. 2023, 62, e202217519. doi: 10.1002/anie.202217519.
S. Klostermann, and J. Kästner. Dataset, (2023)Related to: Erik J. Wimmer, Sina V. Klostermann, Mark Ringenberg, Johannes Kästner, Deven P. Estes. Oxo-Bridged Zr dimers as well-defined models of oxygen vacancies on ZrO2. European Journal of Inorganic Chemistry 2023, 26, e202200709. doi: 10.1002/ejic.202200709.
C. Rieg, and M. Dyballa. Dataset, (2023)Related to: Carolin Rieg, Manuel Kirchhof, Katrin Gugeler, Ann-Katrin Beurer, Lukas Stein, Klaus Dirnberger, Wolfgang Frey, Johanna R. Bruckner, Yvonne Traa, Johannes Kästner, Sabine Ludwigs, Sabine Laschat, Michael Dyballa. Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules. Catal. Sci. Technol. 2022, Advance Article. doi: 10.1039/D2CY01578A.
L. Keim, H. Class, L. Schirmer, K. Wendel, B. Strauch, and M. Zimmer. Dataset, (2023)Related to: Class, H.; Keim, L.; Schirmer, L.; Strauch, B.; Wendel, K.; Zimmer, M. Seasonal Dynamics of Gaseous CO2 Concentrations in a Karst Cave Correspond with Aqueous Concentrations in a Stagnant Water Column. Geosciences 2023, 13, 51. doi: 10.3390/geosciences13020051.
C. Rieg, D. Dittmann, Z. Li, A. Kurtz, E. Kaya, S. Peters, B. Kunkel, M. Parlinska-Wojtan, S. Wohlrab, A. Abdel-Mageed and 1 other author(s). Dataset, (2022)Related to: Rieg, Carolin; Dittmann, Daniel; Li, Zheng; Kurtz, Alan; Kaya, Elif; Peters, Stefan; Kunkel, Benny; Parlinska-Wojtan, Magdalena; Wohlrab, Sebastian; Abdel-Mageed, Ali; Dyballa, Michaell. Introducing a Novel Method for Probing Accessibility, Local Environment and Spatial Distribution of Oxidative Sites on Solid Catalysts using Trimethylphosphine. Journal of Physical Chemistry C 2022, 126, 13213-13223. doi: 10.1021/acs.jpcc.2c04114.
S. Burbulla, M. Hörl, and C. Rohde. Dataset, (2022)Related to: S. Burbulla, M. Hörl, and C. Rohde (2022). "Flow in Porous Media with Fractures of Varying Aperture." Submitted for publication. doi: 10.48550/arXiv.2207.09301.
S. Kiemle, and K. Heck. Software, (2022)Related to: S. Kiemle, K. Heck, E. Coltman, R. Helmig (2022) Stable water isotopologue fractionation during soil-water evaporation: Analysis using a coupled soil-atmosphere model. (Under review). doi: 10.1002/essoar.10510931.1.
I. Tischler, A. Schlaich, and C. Holm. Software, (2023)Related to: Ingo Tischler, Alexander Schlaich, Christian Holm. Disentanglement of Surface and Confinement Effects for Diene Metathesis in Mesoporous Confinement. ACS Omega 2023. doi: 10.1021/acsomega.3c06195.
S. Klostermann, and J. Kästner. Dataset, (2023)Related to: Marc Schnierle, Sina Klostermann, Elif Kaya, Zheng Li, Daniel Dittmann, Carolin Rieg, Deven P. Estes, Johannes Kästner, Mark R. Ringenberg, and Michael Dyballa. How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study. Inorg. Chem. 2023, 62, 19, 7283-7295. doi: 10.1021/acs.inorgchem.3c00351.
J. Yang, S. Kondrat, C. Lian, H. Liu, A. Schlaich, and C. Holm. Dataset, (2023)Related to: J. Yang, S. Kondrat, C. Lian, H. Liu, A. Schlaich, und C. Holm, „Solvent Effects on Structure and Screening in Confined Electrolytes“, Phys. Rev. Lett., Bd. 131, Nr. 11, 118201, Sep. 2023. doi: 10.1103/PhysRevLett.131.118201.
F. Weinhardt, J. Deng, H. Steeb, and H. Class. Dataset, (2022)Related to: Weinhardt, F.; Deng, J.; Hommel, J.; Vahid Dastjerdi, S.; Gerlach, R.; Steeb, H.; Class, H. (2022). Spatiotemporal Distribution of Precipitates and Mineral Phase Transition During Biomineralization Affect Porosity–Permeability Relationships. Transport in Porous Media 143, 527–549 (2022). doi: 10.1007/s11242-022-01782-8.
P. Hauser, J. Musso, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Hauser, P.M., Musso, J.V., Frey, W., and Buchmeiser, M.R. (2021), Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes via Hydrolysis of Cationic Alkylidyne Progenitors. Organometallics, 2021: 40, 927-937. doi: 10.1021/acs.organomet.1c00035.
M. Buchmeiser, D. Wang, R. Schowner, L. Stöhr, F. Ziegler, S. Sen, and W. Frey. Dataset, (2024)Related to: M. R. Buchmeiser, D. Wang, R. Schowner, L. Stöhr, F. Ziegler, S. Sen, W. Frey,; Synthetic and Structural Peculiarities of Neutral and Cationic Molybdenum Imido and Tungsten Oxo Alkylidene Complexes Bearing Weakly Coordinating N-Heterocyclic Carbenes; Eur. J. Inorg. Chem., in press (2024). doi: 10.1002/ejic.202400082.
S. Kousik. Dataset, (2024)Related to: Shravan R. Kousik, Helena Solodenko, Azade YazdanYar, Manuel Kirchhof, Peter Schützendübe, Gunther Richter, Sabine Laschat, Maria Fyta, Guido Schmitz, Joachim Bill, Petia Atanasova, A Complementary Experimental and Theoretical Approach for Probing the Surface Functionalization of ZnO with Molecular Catalyst Linkers, Advanced Materials Interfaces, 2023, 10 (26), 2300399. doi: 10.1002/admi.202300399.
P. Probst, J. Groos, D. Wang, K. Gugeler, A. Beck, J. Kästner, W. Frey, and M. Buchmeiser. Dataset, (2024)Related to: Patrick Probst, Jonas Groos, Dongren Wang, Alexander Beck, Katrin Gugeler, Johannes Kästner, Wolfgang Frey, and Michael R. Buchmeiser, Stereoselective Ring Expansion Metathesis Polymerization with Cationic Molybdenum Alkylidyne N-Heterocyclic Carbene Complexes, Journal of the American Chemical Society 2024 146 (12), 8435-8446. doi: 10.1021/jacs.3c14457.
M. Kirchhof. Dataset, (2024)Related to: Manuel Kirchhof , Katrin Gugeler , Ann-Katrin Beurer , Felix Richard Fischer , Derman Batman , Soeren M. Bauch , Sofia Kolin , Elliot Nicholas , Roland Schoch , Charlotte Vogler , Shravan R. Kousik , Anna Zens , Bernd Plietker , Petia Atasanova , Stefan Naumann , Matthias Bauer , Johanna Bruckner , Yvonne Traa , Johannes Kästner and Sabine Laschat . Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis. Catal. Sci. Technol., 2023, 13, 3709-3724. doi: 10.1039/D3CY00381G.
S. Gravelle, C. Holm, and A. Schlaich. Software, (2023)Related to: Simon Gravelle, Sabina Haber-Pohlmeier, Carlos Mattea, Siegfried Stapf, Christian Holm and Alexander Schlaich: NMR Investigation of Water in Salt Crusts: Insights from Experiments and Molecular Simulations, ChemRxiv, 2023. doi: 10.26434/chemrxiv-2023-6dml7.
A. Beurer, S. Dieterich, H. Solodenko, E. Kaya, N. Merdanoǧlu, G. Schmitz, Y. Traa, and J. Bruckner. Dataset, (2023)Related to: Ann-Katrin Beurer, Sonja Dieterich, Helena Solodenko, Elif Kaya, Naǧme Merdanoǧlu, Guido Schmitz, Yvonne Traa, Johanna R. Bruckner, "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy", Microporous and Mesoporous Materials, Volume 354, 15 April 2023, 112508. doi: 10.1016/j.micromeso.2023.112508.
M. Deimling, and M. Kirchhof. Dataset, (2021)Related to: Asymmetric Catalysis in Liquid Confinement: Probing the Performance of Novel Chiral Rhodium-Diene Complexes in Microemulsions and Conventional Solvents. M. Deimling, M. Kirchhof, B. Schwager, Y. Qawasmi, A. Savin, T. Mühlhäuser, W. Frey, B. Claasen, A. Baro, T. Sottmann, S. Laschat, Chem. Eur. J. 2019, 25, 9464. doi: 10.1002/chem.201900947.
T. Koch, and K. Weishaupt. Software, (2021)Related to: T. Koch, K. Weishaupt, J. Müller, B. Weigand, R. Helmig (2021) A (dual) network model for heat transfer in porous media, Transport in Porous Media 140, 107-141. doi: 10.1007/s11242-021-01602-5.
L. Kloker, and C. Bringedal. Dataset, (2022)Related to: Leon H. Kloker and Carina Bringedal, Solution approaches for evaporation-driven density instabilities in a slab of saturated porous media, Physics of Fluids 34, 096606 (2022). doi: 10.1063/5.0110129.
S. Kiemle, and K. Heck. Software, (2022)Related to: S. Kiemle, K. Heck, E. Coltman, R. Helmig (2022) Stable water isotopologue fractionation during soil-water evaporation: Analysis using a coupled soil-atmosphere model. (Under review). doi: 10.1002/essoar.10510931.1.
I. Tischler, C. Holm, and A. Schlaich. Software, (2022)Related to: Tischler, I., Schlaich, A., Holm, C., The Presence of a Wall Enhances the Probability for Ring-Closing Metathesis: Insights from Classical Polymer Theory and Atomistic Simulations. Macromol. Theory Simul. 2021, 30, 2000076. doi: 10.1002/mats.202000076.