Publikationen / Publications

2017

Journals

  • Dilla, M., Schlögl, R., Strunk, J. (2017). Photocatalytic CO2 Reduction Under Continuous Flow High-Purity Conditions: Quantitative Evaluation of CH4 Formation in the Steady-State ChemCatChem 9(4), 696-704. https://doi.org/10.1002/cctc.201601218
  • Marchione, D., Izquierdo, M.A., Bistoni, G., Havenith, R.W.A., Macchioni, A., Zuccaccia, D., Tarantelli, F., Belpassi, L. (2017). 13C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe sigma Donation in Gold(I),Complexes Chemistry - A European Journal 23(11), 2722-2728. https://doi.org/10.1002/chem.201605502
  • Stoychev, G.L., Auer, A.A., Neese, F. (2017). Automatic Generation of Auxiliary Basis Sets Journal of Chemical Theory and Computation 13(2), 554-562. https://doi.org/10.1021/acs.jctc.6b01041
  • Bukhtiyarova, M., Lunkenbein, T., Kähler, K., Schlögl, R. (2017). Methanol Synthesis from Industrial CO2 Sources: A Contribution to Chemical Energy Conversion Catalysis Letters 147(2), 416-427. https://doi.org/10.1007/s10562-016-1960-x
  • Shelaev, I., Gorka, M., Savitsky, A., Kurashov, V., Mamedov, M., Gostev, F., Möbius, K., Nadtochenko, V., Golbeck, J., Semenov, A. (2017). Effect of Dehydrated Trehalose Matrix on the Kinetics of Forward Electron Transfer Reactions in Photosystem I Journal of Research in Physical Chemistry and Chemical Physics 231(2), 325-345. https://doi.org/10.1515/zpch-2016-0860
  • Velasco-Vélez, J.J., Jones, T.E., Pfeifer, V., Dong, C.L., Chen, Y.X., Chen, C.M., Chen, H.Y., Lu, Y.R., Chen, J.M., Schlögl, R., Knop-Gericke, A., Chuang, C.H. (2017). Trends in reactivity of electrodeposited 3d transition metals on gold revealed by operando soft X-ray absorption spectroscopy during water splitting Journal of Physics D - Applied Physics 50(2), 24002. https://doi.org/10.1088/1361-6463/50/2/024002
  • Hävecker, M., Dungen, P., Buller, S., Knop-Gericke, A., Trunschke, A., Schlögl, R. (2017). Restructuring of silica supported vanadia during propane oxidative dehydrogenation studied by combined synchrotron radiation based in situ soft X-ray absorption and photoemission Catalysis Structure and Reactivity 3, 104-111. https://doi.org/10.1080/2055074X.2017.1287535
  • Aijaz, A., Masa, J., Rösler, C., Xia, W., Weide, P., Fischer, R.A., Schuhmann, W., Muhler, M. (2017). Metal-Organic Framework Derived Carbon Nanotube Grafted Cobalt/Carbon Polyhedra Grown on Nickel Foam: An Efficient 3D Electrode for Full Water Splitting ChemElectroChem 4(1), 188-193. https://doi.org/10.1002/celc.201600452
  • Bistoni, G., Auer, A.A., Neese, F. (2017). Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain-Based Local Pair Natural Orbital Coupled Cluster Study Chemistry - A European Journal 23(4), 865-873. https://doi.org/10.1002/chem.201604127
  • Elfgen, R., Hollóczki, O., Ray, P., Groh, M.F., Ruck, M., Kirchner, B. (2017). Theoretical Investigation of the Te4Br2 Molecule in Ionic Liquids Zeitschrift für Anorganische und Allgemeine Chemie 643(1), 41-52. https://doi.org/10.1002/zaac.201600342
  • Klementyeva, S.V., Gritsan, N.P., Khusniyarov, M.M., Witt, A., Dmitriev, A.A., Suturina, E.A., Hill, N.D.D., Roemmele, T.L., Gamer, M.T., Boeré, R.T., Roesky, P.W., Zibarev, A.V., Konchenko, S.N. (2017). The First Lanthanide Complexes with a Redox-Active Sulfur Diimide Ligand: Synthesis and Characterization of [LnCp*2(RN=)2S], Ln= Sm, Eu, Yb; R= SiMe3 Chemistry - A European Journal 23(6), 1278-1290. https://doi.org/10.1002/chem.201604340
  • Losi, A., Gärtner, W. (2017). Solving Blue Light Riddles: New Lessons from Flavin-binding LOV Photoreceptors. Photochemistry and Photobiology 93(1), 141-158. doi.org/10.1111/php.12674
  • Gärtner, W. (2017). In-Planta Expression: Searching for the Genuine Chromophores of Cryptochrome-3 from Arabidopsis thaliana Photochemistry and Photobiology 93(1), 382-384. https://doi.org/10.1111/php.12693
  • Anke, B., Rohloff, M., Willinger, M.G., Hetaba, W., Fischer, A., Lerch, M. (2017). Improved photoelectrochemical performance of bismuth vanadate by partial O/F-substitution Solid State Sciences 63, 1-8. https://doi.org/10.1016/j.solidstatesciences.2016.11.004
  • Roy, L., Ghosh, B., Paul, A. (2017). Lewis Acid Promoted Hydrogenation of CO2 and HCOO- by Amine Boranes: Mechanistic Insight from a Computational Approach Journal of Physical Chemistry A 121(27), 5204-5216. https://doi.org/10.1021/acs.jpca.7b03843
  • Kaichev, V.V., Saraev, A.A., Gladky, A.Y., Prosvirin, I.P., Blume, R., Teschner, D., Hävecker, M., Knop-Gericke, A., Schlögl, R., Bukhtiyarov, V.I. (2017). Reversible Bulk Oxidation of Ni Foil During Oscillatory Catalytic Oxidation of Propane: A Novel Type of Spatiotemporal Self-Organization Physical Review Letters 119(2), 26001. https://doi.org/10.1103/PhysRevLett.119.026001
  • Willinger, E., Tarasov, A., Blume, R., Rinaldi, A., Timpe, O., Massué, C., Scherzer, M., Noack, J., Schlögl, R., Willinger, M.G. (2017). Characterization of the Platinum-Carbon Interface for Electrochemical Applications ACS Catalysis 7(7), 4395-4407. https://doi.org/10.1021/acscatal.7b00614
  • Kalinowski, J., Wennmohs, F., Neese, F. (2017). Arbitrary Angular Momentum Electron Repulsion Integrals with Graphical Processing Units: Application to the Resolution of Identity Hartree-Fock Method Journal of Chemical Theory and Computation 13(7), 3160-3170. https://doi.org/10.1021/acs.jctc.7b00030
  • Sparta, M., Retegan, M., Pinski, P., Riplinger, C., Becker, U., Neese, F. (2017). Multilevel Approaches within the Local Pair Natural Orbital Framework Journal of Chemical Theory and Computation 13(7), 3198-3207. https://doi.org/10.1021/acs.jctc.7b00260
  • Bistoni, G., Riplinger, C., Minenkov, Y., Cavallo, L., Auer, A.A., Neese, F. (2017). Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach Journal of Chemical Theory and Computation 13(7), 3220-3227. https://doi.org/10.1021/acs.jctc.7b00352
  • Simon, J., Losi, A., Zhao, K.H., Gärtner, W. (2017). FRET in a Synthetic Flavin- and Bilin-binding Protein Photochemistry and Photobiology 93(4), 1057-1062. https://doi.org/10.1111/php.12707
  • Xu, Q.Z., Tang, Q.Y., Han, J.X., Ding, W.L., Zhao, B.Q., Zhou, M., Gärtner, W., Scheer, H., Zhao, K.H. (2017). Chromophorylation (in Escherichia coli),of allophycocyanin B subunits from far-red light acclimated Chroococcidiopsis thermalis sp. PCC7203 Photochemical and Photobiological Sciences 16(7), 1153-1161. https://doi.org/10.1039/c7pp00066a
  • Van Kuiken, B.E., Ross, M.R., Strader, M.L., Cordones, A.A., Cho, H.N., Lee, J.H., Schoenlein, R.W., Khalil, M. (2017). Picosecond sulfur K-edge X-ray absorption spectroscopy with applications to excited state proton transfer Structural Dynamics 4(4), 44021. https://doi.org/10.1063/1.4983157
  • Chakraborty, U., Demeshko, S., Meyer, F., Rebreyend, C., de Bruin, B., Atanasov, M., Neese, F., Mühldorf, B., Wolf, R. (2017). Electronic Structure and Magnetic Anisotropy of an Unsaturated Cyclopentadienyl Iron(I),Complex with 15 Valence Electrons Angewandte Chemie International Edition 56(27), 7995-7999. https://doi.org/10.1002/anie.201702454
  • Wu, K.H., Shi, W., Wang, D., Xu, J.Y., Ding, Y.X., Lin, Y.M., Qi, W., Zhang, B.S., Su, D.S (2017). In Situ Electrostatic Modulation of Path Selectivity for the Oxygen Reduction Reaction on Fe-N Doped Carbon Catalyst Chemistry of Materials 29(11), 4649-4653. https://doi.org/10.1021/acs.chemmater.7b01619
  • Spanos, I., Auer, A.A., Neugebauer, S., Deng, X.H., Tüysüz, H., Schlögl, R. (2017). Standardized Benchmarking of Water Splitting Catalysts in a Combined Electrochemical Flow Cell/Inductively Coupled Plasma-Optical Emission Spectrometry (ICP-OES) Setup ACS Catalysis 7(6), 3768-3778. https://doi.org/10.1021/acscatal.7b00632
  • Gaggioli, C.A., Bistoni, G., Ciancaleoni, G., Tarantelli, F., Belpassi, L., Belanzoni, P. (2017). Modulating the Bonding Properties of N-Heterocyclic Carbenes (NHCs): A Systematic Charge-Displacement Analysis Chemistry - A European Journal 23(31), 7558-7569. https://doi.org/10.1002/chem.201700638
  • Paul, S., Neese, F., Pantazis, D.A. (2017). Structural models of the biological oxygen-evolving complex: achievements, insights, and challenges for biomimicry Green Chemistry 19(10), 2309-2325. https://doi.org/10.1039/c7gc00425g
  • Massué, C., Pfeifer, V., Huang, X., Noack, J., Tarasov, A., Cap, S., Schlögl, R. (2017). High-Performance Supported Iridium Oxohydroxide Water Oxidation Electrocatalysts ChemSusChem 10(9), 1943-1957. https://doi.org/10.1002/cssc.201601817
  • Massué, C., Huang, X., Tarasov, A., Ranjan, C., Cap, S., Schlögl, R. (2017). Microwave-Assisted Synthesis of Stable and Highly Active Ir Oxohydroxides for Electrochemical Oxidation of Water ChemSusChem 10(9), 1958-1968. https://doi.org/10.1002/cssc.201601864
  • Pavoševic, F., Peng, C., Pinski, P., Riplinger, C., Neese, F., Valeev, E.F. (2017). SparseMaps-A systematic infrastructure for reduced scaling electronic structure methods. V. Linear scaling explicitly correlated coupled-cluster method with pair natural orbitals Journal of Chemical Physics 146(17), 174108. https://doi.org/10.1063/1.4979993
  • Kacprzak, S., Njimona, I., Renz, A., Feng, J., Reijerse, E., Lubitz, W., Krauss, N., Scheerer, P., Nagano, S., Lamparter, T., Weber, S. (2017). Intersubunit distances in full-length, dimeric, bacterial phytochrome Agp1, as measured by pulsed electron-electron double resonance (PELDOR),between different spin label positions, remain unchanged upon photoconversion Journal of Biological Chemistry 292(18), 7598-7606. https://doi.org/10.1074/jbc.M116.761882
  • Gehrke, S., Schmitz, K., Hollóczki, O. (2017). Is Carbene Formation Necessary for Dissolving Cellulose in Ionic Liquids? Journal of Physical Chemistry B, 121(17), 4521-4529. https://doi.org/10.1021/acs.jpcb.7b00631
  • Tian, L.J., Xu, P.Q., Chukhutsina, V.U., Holzwarth, A.R., Croce, R (2017). Zeaxanthin-dependent nonphotochemical quenching does not occur in photosystem I in the higher plant Arabidopsis thaliana Proceedings of the National Academy of Sciences USA 114(18), 4828-4832. https://doi.org/10.1073/pnas.1621051114
  • Schweinfurth, D., Krzystek, J., Atanasov, M., Klein, J., Hohloch, S., Telser, J., Demeshko, S., Meyer, F., Neese, F., Sarkar, B. (2017). Tuning Magnetic Anisotropy Through Ligand Substitution in Five-Coordinate Co(II) Complexes Inorganic Chemistry 56(9), 5253-5265. https://doi.org/10.1021/acs.inorgchem.7b00371
  • Losi, A., Bonomi, H.R., Michael, N., Tang, K., Zhao, K.H. (2017). Time-Resolved Energetics of Photoprocesses in Prokaryotic Phytochrome-Related Photoreceptors Photochemistry and Photobiology 93(3), 733-740. https://doi.org/10.1111/php.12728
  • Kerruth, S., Langner, P., Raffelberg, S., Gärtner, W., Heberle, J. (2017). Characterization of the Blue-Light-Activated Adenylyl Cyclase mPAC by Flash Photolysis and FTIR Spectroscopy Photochemistry and Photobiology 93(3), 857-864. https://doi.org/10.1111/php.12746
  • Lin, Y.M., Feng, Z.B., Yu, L.H., Gu, Q.G., Wu, S.C., Su, D.S. (2017). Insights into the surface chemistry and electronic properties of sp2 and sp3 -hybridized nanocarbon materials for catalysis Chemical Communications 53(35), 4834-4837. https://doi.org/10.1039/c7cc02354e
  • Kurth, D., Amadio, A., Ordoñez, O.F., Albarracin, V.H., Gärtner, W., Farías, M.E. (2017). Arsenic metabolism in high altitude modern stromatolites revealed by metagenomic analysis Scientific Reports 7, 1024. https://doi.org/10.1038/s41598-017-00896-0
  • Römelt, C., Song, J.S.Tarrago, M., Rees, J.A., van Gastel, M., Weyhermüller, T., DeBeer, S., Bill, E., Neese, F., Ye, S.  (2017). Electronic Structure of a Formal Iron(0), Porphyrin Complex Relevant to CO2 Reduction Inorganic Chemistry 56(8), 4745-4750. https://doi.org/10.1021/acs.inorgchem.7b00401
  • Minenkov, Y., Bistoni, G., Riplinger, C., Auer, A.A., Neese, F., Cavallo, L. (2017). Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation Physical Chemistry Chemical Physics 19(14), 9374-9391. https://doi.org/10.1039/c7cp00836h
  • Paul, S., Cox, N., Pantazis, D.A. (2017). What Can We Learn from a Biomimetic Model of Nature's Oxygen- Evolving Complex? Inorganic Chemistry 56(7), 3875-3888. https://doi.org/10.1021/acs.inorgchem.6b02777
  • Rodríguez-Maciá, P., Birrell, J.A., Lubitz, W., Rüdiger, O. (2017). Electrochemical Investigations on the Inactivation of the [FeFe] Hydrogenase from Desulfovibrio desulfuricans by O2 or Light under Hydrogen-Producing Conditions ChemPlusChem 82(4), 540-545. https://doi.org/10.1002/cplu.201600508 Frontspiece
  • Suturina, E.A., Nehrkorn, J., Zadrozny, J.M., Liu, J., Atanasov, M., Weyhermüller, T., Maganas, D., Hill, S., Schnegg, A., Bill, E., Long, J.R., Neese, F. (2017). Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)4]2- Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations Inorganic Chemistry 56(5), 3102-3118. https://doi.org/10.1021/acs.inorgchem.7b00097
  • Dilla, M., Pougin, A., Strunk, J. (2017). Evaluation of the plasmonic effect of Au and Ag on Ti-based photocatalysts in the reduction of CO2 to CH4 Journal of Energy Chemistry 26(2), 277-283. https://doi.org/10.1016/j.jechem.2016.09.009
  • Popov, A.A., Lukina, E.A., Rapatskiy, L., Kulik, L.V. (2017). Time-domain shape of electron spin echo signal of spin-correlated radical pairs in polymer/fullerene blends Journal of Magnetic Resonance 276, 86-94. https://doi.org/10.1016/j.jmr.2017.01.016
  • Möbius, K. (2017). Preface: Kev Salikov's 80th Birthday: Small Interactions With Large Consequences Journal of Research In Physical Chemistry & Chemical Physics 231(3), 471-477. https://doi.org/10.1515/zpch-2016-5007
  • Rees, J.A., Bjornsson, R., Kowalska, J.K., Lima, F.A., Schlesier, J., Sippel, D., Weyhermüller, T., Einsle, O., Kovacs, J.A., DeBeer, S. (2017). Comparative electronic structures of nitrogenase FeMoco and FeVco Dalton Transactions, 46(8), 2445-2455. https://doi.org/10.1039/c7dt00128b Back cover
  • Gu, Q.Q., Wen, G.D., Ding, Y.X., Wu, K.H., Chen, C.M., Su, D.S. (2017). Reduced graphene oxide: a metal-free catalyst for aerobic oxidative desulfurization Green Chemistry 19(4), 1175-1181. https://doi.org/10.1039/c6gc02894b
  • Dammers, S., Zimmermann, T.P., Walleck, S., Stammler, A., Bögge, H., Bill, E., Glaser, T. (2017). A Mixed-Valence Fluorido-Bridged FeIIFeIII Complex Inorganic Chemistry 56(4), 1779-1782. https://doi.org/10.1021/acs.inorgchem.6b03093
  • Horitani, M., Offenbacher, A.R., Carr, C.A.M., Yu, T., Hoeke, V., Cutsail III, G.E., Hammes-Schiffer, S., Klinman, J.P., Hoffman, B.M. (2017). 13C ENDOR Spectroscopy of Lipoxygenase-Substrate Complexes Reveals the Structural Basis for C-H Activation by Tunneling Journal of the American Chemical Society 139(5), 1984-1997. https://doi.org/10.1021/jacs.6b11856
  • Bjornsson, R., Neese, F., DeBeer, S. (2017). Revisiting the Mössbauer Isomer Shifts of the FeMoco Cluster of Nitrogenase and the Cofactor Charge Inorganic Chemistry 56(3), 1470-1477. https://doi.org/10.1021/acs.inorgchem.6b02540
  • Andrei, V., Bethke, K., Madzharova, F., Beeg, S., Knop-Gericke, A., Kneipp, J., Rademann, K (2017). Size Dependence of Electrical Conductivity and Thermoelectric Enhancements in Spin-Coated PEDOT:PSS Single and Multiple Layers Advanced Electronic Materials 3(2), 1600473. https://doi.org/10.1002/aelm.201600473
  • Völter, J., Schlögl, R. (2017). 50 Years of German Catalysis Meetings: From Twin Roots to a Joint Success Story ChemCatChem, 9(4), 527-532. https://doi.org/10.1002/cctc.201700011
  • Schlögl, R. (2017). Catalysis 4.0 ChemCatChem 9(4), 533-541. https://doi.org/10.1002/cctc.201700026 Inside Back Cover
  • Kube, P., Frank, B., Wrabetz, S., Kröhnert, J., Hävecker, M., Velasco-Vélez, J.J., Noack, J., Schlögl, R., Trunschke, A. (2017). Functional Analysis of Catalysts for Lower Alkane Oxidation ChemCatChem 9(4), 573-585. https://doi.org/10.1002/cctc.201601194
  • Ortega, K.F., Rein, D., Lüttmann, C., Heese, J., Özcan, F., Heidelmann, M., Folke, J., Kähler, K., Schlögl, R., Behrens, M. (2017). Ammonia Decomposition and Synthesis over Multinary Magnesioferrites: Promotional Effect of Ga on Fe Catalysts for the Decomposition Reaction ChemCatChem 9(4), 659-671. https://doi.org/10.1002/cctc.201601355
  • Rellán-Piñeiro, M., Garcia-Ratés, M., López, N. (2017). A mechanism for the selective epimerization of the glucose mannose pair by Mo-based compounds: towards catalyst optimization Green Chemistry 19(24), 5932-5939. https://doi.org/10.1039/c7gc02692g
  • Gehrke, S., Hollóczki, O. (2017). Are There Carbenes in N-Heterocyclic Carbene Organocatalysis? Angewandte Chemie International Edition 56(51), 16395-16398. https://doi.org/10.1002/anie.201708305
  • Ghosh, K.K., van Gemmeren, M. (2017). Y Pd-Catalyzed ß-C(sp3)-H Arylation of Propionic Acid and Related Aliphatic Acids Chemistry - A European Journal 23(70), 17697-17700. https://doi.org/10.1002/chem.201705449
  • Castillo, R.G., Banerjee, R., Allpress, C.J., Rohde, G.T., Bill, E., Que Jr., L., Lipscomb, J.D., DeBeer, S. (2017). High-Energy-Resolution Fluorescence-Detected X-ray Absorption of the Q Intermediate of Soluble Methane Monooxygenase Journal of the American Chemical Society 139(49), 18024-18033. https://doi.org/10.1021/jacs.7b09560
  • Dilla, M., Mateblowski, A., Ristig, S., Strunk, J. (2017). Photocatalytic CO2 Reduction under Continuous Flow High-Purity Conditions: Influence of Light Intensity and H2O Concentration ChemCatChem 9(23), 4345-4352. https://doi.org/10.1002/cctc.201701189 Cover Feature
  • Massué, C., Pfeifer, V., van Gastel, M., Noack, J., Algara-Siller, G., Cap, S., Schlögl, R. (2017). Reactive Electrophilic OI- Species Evidenced in High-Performance Iridium Oxohydroxide Water Oxidation Electrocatalysts Journal of the American Chemical Society 10(23), 4786-4798. https://doi.org/10.1002/cssc.201701291
  • Decaneto, E., Vasilevskaya, T., Kutin, Y., Ogata, H., Grossman, M., Sagi, I., Havenith, M., Lubitz, W., Thiel, W., Cox, N. (2017). Solvent water interactions within the active site of the membrane type I matrix metalloproteinase Physical Chemistry Chemical Physics 19(45), 30316-30331. https://doi.org/10.1039/c7cp05572b Front Cover
  • Auer, A.A., Bistoni, G., Kitschke, P., Mehring, M., Ebert, T., Spange, S. (2017). Electronic Structure Calculations and Experimental Studies on the Thermal Initiation of the Twin Polymerization Process ChemPlusChem 82(12), 1396-1407. https://doi.org/10.1002/cplu.201700358
  • Elfgen, R., Hollóczki, O., Kirchner, B. (2017). A Molecular Level Understanding of Template Effects in Ionic Liquids Accounts of Chemical Research 50(12), 2949-2957. https://doi.org/10.1021/acs.accounts.7b00436
  • Chang, J.S., Tan, J.K., Shah, S.N., Mateblowski, A., Strunk, J., Poh, P.E., Chong, M.N. (2017). Morphological tunable three-dimensional flower-like zinc oxides with high photoactivity for targeted environmental Remediation: Degradation of emerging micropollutant and radicals trapping experiments Journal of the Taiwan Institute of Chemical Engineers 81, 206-217. https://doi.org/10.1016/j.jtice.2017.10.030
  • Strunk, J., Bañares, M.A., Wachs, I.E. (2017). Vibrational Spectroscopy of Oxide Overlayers Topics in Catalysis 60(19-20), 1577-1617. https://doi.org/10.1007/s11244-017-0841-x
  • Schumann, J., Kröhnert, J., Frei, E., Schlögl, R., Trunschke, A. (2017). IR-Spectroscopic Study on the Interface of Cu-Based Methanol Synthesis Catalysts: Evidence for the Formation of a ZnO Overlayer Topics in Catalysis 60(19-20), 1735-1743. https://doi.org/10.1007/s11244-017-0850-9
  • Kertess, L., Adamska-Venkatesh, A., Rodríguez-Maciá, P., Rüdiger, O., Lubitz, W., Happe, T. (2017). Influence of the [4Fe-4S] cluster coordinating cysteines on active site maturation and catalytic properties of C. reinhardtii [FeFe]-hydrogenase Chemical Science 8(12), 8127-8137. https://doi.org/10.1039/c7sc03444j
  • Möbius, K., Lubitz, W., Savitsky, A. (2017). Jim Hyde and the ENDOR Connection: A Personal Account Applied Magnetic Resonance 48(11-12), 1149-1183. https://doi.org/10.1007/s00723-017-0959-9
  • Pavlovic, Z., Ranjan, C., van Gastel, M., Schlögl, R. (2017). The active site for the water oxidising anodic iridium oxide probed through in situ Raman spectroscopy Chemical Communications 53(92), 12414-12417. https://doi.org/10.1039/c7cc05669a
  • Rein, D., Ortega, K.F., Weidenthaler, C., Bill, E., Behrens, M. (2017). The roles of Co-precipitation pH, phase-purity and alloy formation for the ammonia decomposition activity of Ga-promoted Fe/MgO catalysts Applied Catalysis A - General 548, 52-61. https://doi.org/10.1016/j.apcata.2017.09.004
  • Gu, Q.Q., Lin, Y.M., Heumann, S., Su, D.S. (2017). Nanocarbons for Catalytic Desulfurization Chemistry - An Asian Journal 12(22), 2876-2883. https://doi.org/10.1002/asia.201700995
  • Mai, S., Plasser, F., Pabst, M., Neese, F., Köhn, A., González, L. (2017). Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction method Journal of Chemical Physics 147(18), 184109. https://doi.org/10.1063/1.4999687
  • Grimme, S., Bannwarth, C., Dohm, S., Hansen, A., Pisarek, J., Pracht, P., Seibert, J., Neese, F. (2017). Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra Angewandte Chemie International Edition 56(46), 14763-14769. https://doi.org/10.1002/anie.201708266
  • Masliuk, L., Heggen, M., Noack, J., Girgsdies, F., Trunschke, A., Hermann, K.E., Willinger, M.G., Schlögl, R., Lunkenbein, T. (2017). Structural Complexity in Heterogeneous Catalysis: Cataloging Local Nanostructures Journal of Physical Chemistry C 121(43), 24093-24103. https://doi.org/10.1021/acs.jpcc.7b08333
  • Fan, H., Huang, X., Kähler, K., Folke, J., Girgsdies, F., Teschner, D., Ding, Y., Hermann, K., Schlögl, R., Frei, E. (2017). In-Situ Formation of Fe Nanoparticles from FeOOH Nanosheets on γ-Al2O3 as Efficient Catalysts for Ammonia Synthesis ACS Sustainable Chemistry and Engineering 5(11), 10900-10909. https://doi.org/10.1021/acssuschemeng.7b02812
  • Monte-Pérez, I., Kundu, S., Chandra, A., Craigo, KE., Chernev, P., Kuhlmann, U., Dau, H., Hildebrandt, P., Greco, C., Van Stappen, C., Lehnert, N., Ray, K. (2017). Temperature Dependence of the Catalytic Two-versus Four-Electron Reduction of Dioxygen by a Hexanuclear Cobalt Complex Journal of the American Chemical Society 139(42), 15033-15042. https://doi.org/10.1021/jacs.7b07127
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