Publikationen

2016

Journals

Krewald, V., Pantazis, D.A. (2016). Understanding and tuning the properties of redox-accumulating manganese helicates Dalton Transactions 45(47), 18900-18908. https://doi.org/10.1039/c6dt02800d
Biswas, S., Das, S., Gupta, T., Singh, S.K., Pissas, M., Rajaraman, G., Chandrasekhar, V. (2016). Observation of Slow Relaxation and Single-Molecule Toroidal Behavior in a Family of Butterfly-Shaped Ln₄ Complexes Chemistry-A European Journal 22(51), 18532-18550. https://doi.org/10.1002/chem.201603640
Burton, K.M.E., Pantazis, D.A., Belli, R.G., McDonald, R., Rosenberg, L. (2016). Alkene Insertions into a Ru-PR₂ Bond Organometallics 35(23), 3970-3980. https://doi.org/10.1021/acs.organomet.6b00757
Christoforidis, K.C., Pantazis, D.A., Bonilla, L.L., Bletsa, E., Louloudi, M., Deligiannakis, Y. (2016). Axial ligand effect on the catalytic activity of biomimetic Fe-porphyrin catalyst: An experimental and DFT study Journal of Catalysis 344, 768-777. https://doi.org/10.1016/j.jcat.2016.08.013
Pavlovic, Z., Ranjan, C., Gao, Q., van Gastel, M., Schlögl, R. (2016). Probing the Structure of a Water-Oxidizing Anodic Iridium Oxide Catalyst using Raman Spectroscopy ACS Catalysis 6(12), 8098-8105. https://doi.org/10.1021/acscatal.6b02343
Van Kuiken, B.E., Hahn, A.W., Maganas, D., DeBeer, S. (2016). Measuring Spin-Allowed and Spin-Forbidden d-d Excitations in Vanadium Complexes with 2p3d Resonant Inelastic X-ray Scattering Inorganic Chemistry 55(21), 11497-11501. https://doi.org/10.1021/acs.inorgchem.6b02053
Lukina, E.A., Popov, A.A., Uvarov, M.N., Suturina, E.A., Reijerse, E.J., Kulik, L.V. (2016). Light-induced charge separation in a P3HT/PC₇₀BM composite as studied by out-of-phase electron spin echo spectroscopy Physical Chemistry Chemical Physics 18(41), 28585-28593. https://doi.org/10.1039/c6cp05389k
Ogata, H., Lubitz, W., Higuchi, Y. (2016). Structure and function of [NiFe] hydrogenases Journal of Biochemistry 160(5), 251-258. https://doi.org/10.1093/jb/mvw048
Kubas, A., Berger, D., Oberhofer, H., Maganas, D., Reuter, K., Neese, F. (2016). Surface Adsorption Energetics Studied with "Gold Standard" Wave Function-Based Ab Initio Methods: Small-Molecule Binding to TiO₂(110) Journal of Physical Chemistry Letters 7(20), 4207-4212. https://doi.org/10.1021/acs.jpclett.6b01845
Ding, Y.X., Zhang, L.Y., Wu, K.H., Feng, Z.B., Shi, W., Gao, Q., Zhang, B.S., Su, D.S. (2016). The influence of carbon surface chemistry on supported palladium nanoparticles in heterogeneous reactions Journal of Colloid and Interface Science 480, 175-183. https://doi.org/10.1016/j.jcis.2016.07.018
Galván, C.A., Schumann, J., Behrens, M., Fierro, J.L.G., Schlögl, R., Frei, E. (2016). Reverse water-gas shift reaction at the Cu/ZnO interface: Influence of the Cu/Zn ratio on structure-activity correlations Applied Catalysis B - Environmental 195, 104-111. https://doi.org/10.1016/j.apcatb.2016.05.007
Delmonde, M.V.F., Sallum, L.F., Perini, N., Gonzalez, E.R., Schlögl, R., Varela, H. (2016). Electrocatalytic Efficiency of the Oxidation of Small Organic Molecules under Oscillatory Regime Journal of Physical Chemistry C 120(39), 22365-22374. https://doi.org/10.1021/acs.jpcc.6b06692
Lunkenbein, T., Girgsdies, F., Kandemir, T., Thomas, N., Behrens, M., Schlögl, R., Frei, E. (2016). Bridging the Time Gap: A Copper/Zinc Oxide/Aluminum Oxide Catalyst for Methanol Synthesis Studied under Industrially Relevant Conditions and Time Scales Angewandte Chemie International Edition 55(41), 12708-12712. https://doi.org/10.1002/anie.201603368
Kowalska, J.K., Lima, F.A., Pollock, C.J., Rees, J.A., DeBeer, S. (2016). A Practical Guide to High-resolution X-ray Spectroscopic Measurements and their Applications in Bioinorganic Chemistry Israel Journal of Chemistry 56(9-10), 803-815. https://doi.org/10.1002/ijch.201600037
Birrell, J.A., Wrede, K., Pawlak, K., Rodríguez-Maciá, P., Rüdiger, O., Reijerse, E.J., Lubitz, W. (2016). Artificial Maturation of the Highly Active Heterodimeric [FeFe] Hydrogenase from Desulfovibrio desulfuricans ATCC 7757 Israel Journal of Chemistry 56(9-10), 852-863. https://doi.org/10.1002/ijch.201600035
Schneider, W.B., Bistoni, G., Sparta, M., Saitow, M., Riplinger, C., Auer, A.A., Neese, F. (2016). Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework Journal of Chemical Theory and Computation 12(10), 4778-4792. https://doi.org/10.1021/acs.jctc.6b00523
Keller, K., Zalibera, M., Qi, M., Koch, V., Wegner, J., Hintz, H., Godt, A., Jeschke, G., Savitsky, A., Yulikov, M. (2016). EPR characterization of Mn(II) complexes for distance determination with pulsed dipolar spectroscopy Physical Chemistry Chemical Physics 18(36), 25120-25135. https://doi.org/10.1039/c6cp04884f
Mukhopadhyay, S., Gärtner, W., Cahen, D., Pecht, I., Sheves, M. (2016). Electron transport via a soluble photochromic photoreceptor Physical Chemistry Chemical Physics 18(36), 25671-25675 https://doi.org/10.1039/c6cp05011e
Bellows, S.M., Arnet, N.A., Gurubasavaraj, P.M., Brennessel, W.W., Bill, E., Cundari, T.R., Holland, P.L. (2016). The Mechanism of N-N Double Bond Cleavage by an Iron(II) Hydride Complex Journal of the American Chemical Society 138(37), 12112-12123. https://doi.org/10.1021/jacs.6b04654
Chu, W.Y., Gilbert-Wilson, R., Rauchfuss, T.B., van Gastel, M., Neese, F. (2016). Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis Organometallics 35(17), 2900-2914. https://doi.org/10.1021/acs.organomet.6b00457
Kutin, Y., Srinivas, V., Fritz, M., Kositzki, R., Shafaat, H.S., Birrell, J., Bill, E., Haumann, M., Lubitz, W., Högbom, M., Griese, J.J., Cox, N. (2016). Divergent assembly mechanisms of the manganese/iron cofactors in R2lox and R2c proteins Journal of Inorganic Biochemistry 162, 164-177. https://doi.org/10.1016/j.jinorgbio.2016.04.019
Anton, J., Nebel, J., Göbel, C., Gabrysch, T., Song, H.Q., Froese, C., Ruland, H., Muhler, M., Kaluza, S. (2016). CO Hydrogenation to Higher Alcohols over Cu-Co-Based Catalysts Derived from Hydrotalcite-Type Precursors Topics in Catalysis 59(15-16), 1361-1370. https://doi.org/10.1007/s11244-016-0663-2
Soma, S., Van Stappen, C., Kiss, M., Szilagyi, R.K., Lehnert, N., Fujisawa, K. (2016). Distorted tetrahedral nickel-nitrosyl complexes: spectroscopic characterization and electronic structure Journal of Biological Inorganic Chemistry 21(5-6), 757-775. https://doi.org/10.1007/s00775-016-1366-7
Rees, J.A., Wandzilak, A., Maganas, D., Wurster, N.I.C., Hugenbruch, S., Kowalska, J.K., Pollock, C.J., Lima, F.A., Finkelstein, K.D., DeBeer, S. (2016). Experimental and theoretical correlations between vanadium K-edge X-ray absorption and Kß emission spectra Journal of Biological Inorganic Chemistry 21(5-6), 793-805. https://doi.org/10.1007/s00775-016-1358-7
Gehrke, S., Hollóczki, O. (2016). A molecular mechanical model for N-heterocyclic carbenes Physical Chemistry Chemical Physics 18(32), 22070-22080. https://doi.org/10.1039/c6cp02624a Inside Back Cover
Dittmer, A., Menze, J., Mei, B., Strunk, J., Luftman, H.S., Gutkowski, R., Wachs, I.E., Schuhmann, W., Muhler, M. (2016). Surface Structure and Photocatalytic Properties of Bi₂WO₆ Nanoplatelets Modified by Molybdena Islands from Chemical Vapor Deposition Journal of Chemical Physics 120(32), 18191-18200. https://doi.org/10.1021/acs.jpcc.6b07007
Mirmohades, M., Adamska-Venkatesh, A., Sommer, C., Reijerse, E., Lomoth, R., Lubitz, W., Hammarström, L. (2016). Following [FeFe] Hydrogenase Active Site Intermediates by Time-Resolved Mid-IR Spectroscopy Journal of Physical Chemistry Letters 7(16), 3290-3293. https://doi.org/10.1021/acs.jpclett.6b01316
Birrell, J.A., Laurich, C., Reijerse, E.J., Ogata, H., Lubitz, W. (2016). Importance of Hydrogen Bonding in Fine Tuning the [2Fe-2S] Cluster Redox Potential of HydC from Thermotoga maritima Biochemistry 55(31), 4344-4355. https://doi.org/10.1021/acs.biochem.6b00341
Sivalingam, K., Krupička, M., Auer, A.A., Neese, F. (2016). Comparison of fully internally and strongly contracted multireference configuration interaction procedures Journal of Chemical Physics 145(5), 54104. https://doi.org/10.1063/1.4959029
Strunk, J., Hofmann, J.P. (2016). „Physical Chemistry of Solar Fuels Catalysis” - An Event for Early Career Researchers at the Max-Planck-Institute for Chemical Energy Conversion ACS Energy Letters 1(2), 353-355. https://doi.org/10.1021/acsenergylett.6b00181
Rebolini, E., Izsák, R., Reine, S.S., Helgaker, T., Pedersen, T.B. (2016). Comparison of Three Efficient Approximate Exact-Exchange Algorithms: The Chain-of-Spheres Algorithm, Pair-Atomic Resolution-of-the-Identity Method, and Auxiliary Density Matrix Method Journal of Chemical Theory and Computation 12(8), 3514-3522. https://doi.org/10.1021/acs.jctc.6b00074
Velasco-Vélez, J.J., Davaasuren, B., Scherzer, M., Cap, S., Willinger, M., Guo, J.H., Schlögl, R., Knop-Gericke, A. (2016). Exploring the incorporation of nitrogen in titanium and its influence on the electrochemical corrosion resistance in acidic media Surface Science 650, 272-278. https://doi.org/10.1016/j.susc.2016.01.007
Tamanaha, E., Zhang, B., Guo, Y.S., Chang, W.C., Barr, E.W., Xing, G., Clair, St. J., Ye, S., Neese, F., Bollinger Jr., M., Krebs, C. (2016). Spectroscopic Evidence for the Two C-H-Cleaving Intermediates of Aspergillus nidulans Isopenicillin N Synthase Journal of the American Chemical Society 138(28), 8862-8874. https://doi.org/10.1021/jacs.6b04065
Gaggioli, C.A., Ciancaleoni, G., Zuccaccia, D., Bistoni, G., Belpassi, L., Tarantelli, F., Belanzoni, P. (2016). Strong Electron-Donating Ligands Accelerate the Protodeauration Step in Gold(I)-Catalyzed Reactions: A Quantitative Understanding of the Ligand Effect Organometallics 35(13), 2275-2285. https://doi.org/10.1021/acs.organomet.6b00346
Johnson, B., Ranjan, C., Greiner, M., Arrigo, R., Schuster, M.E., Höpfner, B., Gorgoi, M., Lauermann, I., Willinger, M., Knop-Gericke, A., Schlögl, R. (2016). Characterization of Platinum and Iridium Oxyhydrate Surface Layers from Platinum and Iridium Foils ChemSusChem 9(13), 1634-1646. https://doi.org/10.1002/cssc.201600143
Milić, J., Zalibera, M., Pochorovski, I., Trapp, N., Nomrowski, J., Neshchadin, D., Ruhlmann, L., Boudon, C., Wenger, O.S., Savitsky, A., Lubitz, W., Gescheidt, G., Diederich, F. (2016). Paramagnetic Molecular Grippers: The Elements of Six-State Redox Switches Journal of Physical Chemistry Letters 7(13), 2470-2477. https://doi.org/10.1021/acs.jpclett.6b01094
Shah, R., Pathak, G., Drepper, T., Gärtner, W. (2016). Selective Photoreceptor Gene Knock-out Reveals a Regulatory Role for the Growth Behavior of Pseudomonas syringae Photochemistry and Photobiology 92(4), 571-578. https://doi.org/10.1111/php.12610
Bhunya, S., Roy, L., Paul, A. (2016). Mechanistic Details of Ru-Bis(pyridyl)borate Complex Catalyzed Dehydrogenation of Ammonia-Borane: Role of the Pendant Boron Ligand in Catalysis ACS Catalysis 6(7), 4068-4080. https://doi.org/10.1021/acscatal.5b02616
Möbius, K., Savitsky, A., Lubitz, W., Plato, M. (2016). Möbius-Hückel Topology Switching in Expanded Porphyrins: EPR, ENDOR, and DFT Studies of Doublet and Triplet Open-Shell Systems Applied Magnetic Resonance 47(7), 757-780. https://doi.org/10.1007/s00723-016-0789-1
Rokhsana, D., Large, T.A.G., Dienst, M.C., Retegan, M., Neese, F. (2016). A realistic in silico model for structure/function studies of molybdenum-copper CO dehydrogenase Journal of Biological Inorganic Chemistry 21(4), 491-499. https://doi.org/10.1007/s00775-016-1359-6
Kupper, C., Rees, J.A., Dechert, S., DeBeer, S., Meyer, F. (2016). Complete Series of {FeNO}⁸, {FeNO}⁷, and {FeNO}⁶ Complexes Stabilized by a Tetracarbene Macrocycle Journal of the American Chemical Society 138(25), 7888-7898. https://doi.org/10.1021/jacs.6b00584
Böhm, K.H., Auer, A.A., Espig, M. (2016). Tensor representation techniques for full configuration interaction: A Fock space approach using the canonical product format Journal of Chemical Physics 144(24), 244102. https://doi.org/10.1063/1.4953665
Velasco-Vélez, J.J., Pfeifer, V., Hävecker, M., Wang, R., Centeno, A., Zurutuza, A., Algara-Siller, G., Stotz, E., Skorupska, K., Teschner, D., Kube, P., Braeuninger-Weimer, P., Hofmann, S., Schlögl, R., Knop-Gericke, A. (2016). Atmospheric pressure X-ray photoelectron spectroscopy apparatus: Bridging the pressure gap Review of Scientific Instruments 87(5), 53121. https://doi.org/10.1063/1.4951724
Slavov, C., Schrameyer, V., Reus, M., Ralph, P.J., Hill, R., Büchel, C., Larkum, A.W.D., Holzwarth, A.R. (2016). “Super-quenching” state protects Symbiodinium from thermal stress - Implications for coral bleaching Biochimica et Biophysica Acta (BBA) - Bioenergetics 1857(6), 840-847. https://doi.org/10.1016/j.bbabio.2016.02.002
Albarracín, V.H., Kraiselburd, I., Bamann, C., Wood, P.G., Bamberg, E., Farias, M.E., Gärtner, W. (2016). Functional Green-Tuned Proteorhodopsin from Modern Stromatolites, PLOS ONE 11(5), e0154962. https://doi.org/10.1371/journal.pone.0154962
Wang, M., Weyhermüller, T., Bill, E., Ye, S., Wieghardt, K. (2016). Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2''-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study Inorganic Chemistry 55(10), 5019-5036. https://doi.org/10.1021/acs.inorgchem.6b00609
Kowalska, J.K., Hahn, A.W., Albers, A., Schiewer, C.E., Bjornsson, R., Lima, F.A., Meyer, F., DeBeer, S. (2016). X-ray Absorption and Emission Spectroscopic Studies of [L₂Fe₂S₂]ⁿ Model Complexes: Implications for the Experimental Evaluation of Redox States in Iron-Sulfur Clusters Inorganic Chemistry 55(9), 4485-4497. https://doi.org/10.1021/acs.inorgchem.6b00295
Isegawa, M., Neese, F., Pantazis, D.A. (2016). Ionization Energies and Aqueous Redox Potentials of Organic Molecules: Comparison of DFT, Correlated ab Initio Theory and Pair Natural Orbital Approaches Journal of Chemical Theory and Computation 12(5), 2272-2284. https://doi.org/10.1021/acs.jctc.6b00252
Hugenbruch, S., Shafaat, H.S., Krämer, T., Delgado-Jaime, M.U., Weber, K., Neese, F., Lubitz, W., DeBeer, S. (2016). In search of metal hydrides: an X-ray absorption and emission study of [NiFe] hydrogenase model complexes Physical Chemistry Chemical Physics 18(16), 10688-10699. https://doi.org/10.1039/c5cp07293j Inside Front Cover
Krewald, V., Neese, F., Pantazis, D.A. (2016). Redox potential tuning by redox-inactive cations in nature's water oxidizing catalyst and synthetic analogues Physical Chemistry Chemical Physics 18(16), 10739-10750. https://doi.org/10.1039/c5cp07213a
Pougin, A., Dilla, M., Strunk, J. (2016). Identification and exclusion of intermediates of photocatalytic CO₂ reduction on TiO₂ under conditions of highest purity Physical Chemistry Chemical Physics 18(16), 10809-10817. https://doi.org/10.1039/c5cp07148h
Kalinowski, J., Foreman, E.S., Kapnas, K.M., Murray, C., Räsänen, M., Gerber, R.B. (2016). Dynamics and spectroscopy of CH₂OO excited electronic states Physical Chemistry Chemical Physics 18(16), 10941-10946. https://doi.org/10.1039/c6cp00807k
Willinger, E., Yi, Y., Tarasov, A., Blume, R., Massué, C., Girgsdies, F., Querner, C., Schwab, E., Schlögl, R., Willinger, M.-G. (2016). Atomic-Scale Insight on the Increased Stability of Tungsten-Modified Platinum/Carbon Fuel Cell Catalysts ChemCatChem 8(8), 1575-1582. doi.org/10.1002/cctc.201600068
Christian, G.J., Neese, F., Ye, S. (2016). Unravelling the Molecular Origin of the Regiospecificity in Extradiol Catechol Dioxygenases Inorganic Chemistry 55(8), 3853-3864. https://doi.org/10.1021/acs.inorgchem.5b02978
Petrenko, T.T., Petrenko, T.L. (2016). Density functional theory study of the shallow boron impurity in 3C-SiC and comparison with experimental data Physical Review B 93(16), 165203. https://doi.org/10.1103/PhysRevB.93.165203
Martin-Diaconescu, V., Chacon, K.N., Delgado-Jaime, M.U., Sokaras, D., Weng, T.C., DeBeer, S., Blackburn, N.J. (2016). Kß Valence to Core X-ray Emission Studies of Cu(I) Binding Proteins with Mixed Methionine - Histidine Coordination. Relevance to the Reactivity of the M- and H-sites of Peptidylglycine Monooxygenase Inorganic Chemistry 55(7), 3431-3439. https://doi.org/10.1021/acs.inorgchem.5b02842
Ye, S., Bill, E., Neese, F. (2016). Electronic Structures of the [Fe(N₂)(SiP^iPr₃)]^+1/0/-1 Electron Transfer Series: A Counterintuitive Correlation between Isomer Shifts and Oxidation States Inorganic Chemistry 55(7), 3468-3474. https://doi.org/10.1021/acs.inorgchem.5b02908
Pérez-Navarro, M., Neese, F., Lubitz, W., Pantazis, D.A., Cox, N. (2016). Recent developments in biological water oxidation Current Opinion in Chemical Biology 31, 113-119. https://doi.org/10.1016/j.cbpa.2016.02.007
Aijaz, A., Masa, J., Rösler, C., Xia, W., Weide, P., Botz, A.J.R., Fischer, R.A., Schuhmann, W., Muhler, M. (2016). Co@Co₃O₄ Encapsulated in Carbon Nanotube-Grafted Nitrogen-Doped Carbon Polyhedra as an Advanced Bifunctional Oxygen Electrode Angewandre Chemie International Edition 55(12), 4087-4091. https://doi.org/10.1002/anie.201509382
Buller, S., Strunk, J. (2016). Nanostructure in energy conversion Journal of Energy Chemistry 25(2), 171-190. https://doi.org/10.1016/j.jechem.2016.01.025
Buller, S., Heise-Podleska, M., Pfänder, N., Willinger, M., Schlögl, R. (2016). Carbon nanotubes as conducting support for potential Mn-oxide electrocatalysts: Influences of pre-treatment procedures Journal of Energy Chemistry 25(2), 265-271. https://doi.org/10.1016/j.jechem.2016.01.022
Xie, K.P., Xia, W., Masa, J., Yang, F., Weide, P., Schuhmann, W., Muhler, M. (2016). Promoting effect of nitrogen doping on carbon nanotube-supported RuO₂ applied in the electrocatalytic oxygen evolution reaction Journal of Energy Chemistry 25(2), 282-288. https://doi.org/10.1016/j.jechem.2016.01.023
Nyrow, A., Sternemann, C., Tse, J.S., Weis, C., Sahle, C.J., Mende, K., Wieland, D.C.F., Cerantola, V., Gordon, R.A., Spiekermann, G., Regier, T., Wilke, M., Tolan, M. (2016). Bulk sensitive determination of the Fe³⁺/Fe_Tot-ratio in minerals by Fe L_2/3-edge X-ray Raman scattering Journal of Analytical Atomic Spectrometry 31(3), 815-820. https://doi.org/10.1039/c5ja00261c
Fechler, N., Zussblatt, N.P., Rothe, R., Schlögl, R., Willinger, M.-G., Chmelka, B.F., Antonietti, M. (2016). Eutectic Syntheses of Graphitic Carbon with High Pyrazinic Nitrogen Content Advanced Materials 28(6), 1287-1294. https://doi.org/10.1002/adma.201501503 Back Cover
Van Kuiken, B.E., Cho, H., Hong, K., Khalil, M., Schoenlein, RW., Kim, T.K., Huse, N. (2016). Time-Resolved X-ray Spectroscopy in the Water Window: Elucidating Transient Valence Charge Distributions in an Aqueous Fe(II) Complex Journal of Physical Chemistry Letters 7(3), 465-470. https://doi.org/10.1021/acs.jpclett.5b02509
Rechkemmer, Y., Breitgoff, F.D., van der Meer, M., Atanasov, M., Hakl, M., Orlita, M., Neugebauer, P., Neese, F., Sarkar, B., van Slageren, J. (2016). A four-coordinate cobalt(II) single-ion magnet with coercivity and a very high energy barrier Nature Communications 7, 10467. https://doi.org/10.1038/ncomms10467
Lee, J., Eiswirth, M., Schlögl, R. (2016). Preface: Surface analysis and dynamics Catalysis Today, 260, 1-2. https://doi.org/10.1016/j.cattod.2015.10.008
Werncke, C.G., Suturina, E., Bunting, P.C., Vendier, L., Long, J.R., Atanasov, M., Neese, F., Sabo-Etienne, S., Bontemps, S. (2016). Homoleptic Two-Coordinate Silylamido Complexes of Chromium(I), Manganese(I), and Cobalt(I) Chemistry - A European Journal 22(5), 1668-1674. https://doi.org/10.1002/chem.201503980
Banerjee, A., Ganguly, G., Roy, L., Pathak, S., Paul, A. (2016). A Serendipitous Rendezvous with a Four-Center Two-Electron Bonded Intermediate in the Aerial Oxidation of Hydrazine Chemistry - A European Journal 22(4), 1216-1222. https://doi.org/10.1002/chem.201503455 Frontspiece
Chambers, G.M., Huynh, M.T., Li, Y.L., Hammes-Schiffer, S., Rauchfuss, T.B., Reijerse, E., Lubitz, W. (2016). Models of the Ni-L and Ni-Sl_a States of the [NiFe]-Hydrogenase Active Site Inorganic Chemistry 55(2), 419-431. https://doi.org/10.1021/acs.inorgchem.5b01662
Krewald, V., Retegan, M., Neese, F., Lubitz, W., Pantazis, D.A., Cox, N. (2016). Spin State as a Marker for the Structural Evolution of Nature's Water Splitting Catalyst Inorganic Chemistry 55(2), 488-501. https://doi.org/10.1021/acs.inorgchem.5b02578
Riplinger, C., Pinski, P., Becker, U., Valeev, E.F., Neese, F. (2016). Sparse maps-A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory Journal of Chemical Physics 144(2), 24109. https://doi.org/10.1063/1.4939030
Walker, R.J., Pougin, A., Oropeza, F.E., Víllar-Garcia, I.J., Ryan, M.P., Strunk, J., Payne, D.J. (2016). Surface Termination and CO₂ Adsorption onto Bismuth Pyrochlore Oxides Chemistry of Materials 28(1), 90-96. https://doi.org/10.1021/acs.chemmater.5b03232
Peredkov, S., Peters, S., Al-Hada, M., Erko, A., Neeb, M., Eberhardt, W. (2016). Structural investigation of supported Cu_n clusters under vacuum and ambient air conditions using EXAFS spectroscopy Catalysis Science & Technology 6(18), 6942-6952. https://doi.org/10.1039/c6cy00436a
Retegan, M., Pantazis, D.A. (2016). Interaction of methanol with the oxygen-evolving complex: atomistic models, channel identification, species dependence, and mechanistic implications Chemical Science 7(10), 6463-6476. https://doi.org/10.1039/c6sc02340a
Das, R., Neese, F., van Gastel, M. (2016). Hydrogen evolution in [NiFe] hydrogenases and related biomimetic systems: similarities and differences Physical Chemistry Chemical Physics 18(35), 24681-24692. https://doi.org/10.1039/c6cp03672d
Ding, M., Cutsail, G.E., Aravena, D., Amoza, M., Rouzieres, M., Dechambenoit, P., Losovyj, Y., Pink, M., Ruiz, E., Clérac, R., Smith, JM. (2016). A low spin manganese(IV) nitride single molecule magnet Chemical Science 7(9), 6132-6140. https://doi.org/10.1039/c6sc01469k
He, C.M., Ogata, H., Lubitz, W. (2016). Elucidation of the heme active site electronic structure affecting the unprecedented nitrite dismutase activity of the ferriheme b proteins, the nitrophorins Chemical Science 7(8), 5332-5340. https://doi.org/10.1039/c6sc01019a
Maganas, D., Trunschke, A., Schlögl, R., Neese, F. (2016). A unified view on heterogeneous and homogeneous catalysts through a combination of spectroscopy and quantum chemistry Faraday Discussions 188, 181-197. https://doi.org/10.1039/c5fd00193e
Kühner, M., Schweyen, P., Hoffmann, M., Ramos, J.V., Reijerse, E.J., Lubitz, W., Bröring, M., Layer, G. (2016). The auxiliary [4Fe-4S] cluster of the Radical SAM heme synthase from Methanosarcina barkeri is involved in electron transfer Chemical Science 7(7), 4633-4643. https://doi.org/10.1039/c6sc01140c
Yuan, C., Li, H.-Z., Tang, K., Gärtner, W., Scheer, H., Zhou, M., Zhao, K.-H. (2016). Near infrared fluorescent biliproteins generated from bacteriophytochrome AphB of Nostoc sp. PCC 7120 Photochemical and Photobiological Sciences 15(4), 546-553. https://doi.org/10.1039/c5pp00442j
Albarracín, V.H., Gärtner, W., Farias, M.E. (2016). Forged Under the Sun: Life and Art of Extremophiles from Andean Lakes Photochemistry and Photobiology 92(1), 14-28. https://doi.org/10.1111/php.12555
Retegan, M., Krewald, V., Mamedov, F., Neese, F., Lubitz, W., Cox, N., Pantazis, D.A. (2016). A five-coordinate Mn(IV) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding Chemical Science 7(1), 72-84. https://doi.org/10.1039/c5sc03124a Inside Front Cover
Krewald, V., Retegan, M., Pantazis, D.A. (2016). Principles of Natural Photosynthesis Solar Energy for Fuels 371, 23-48. https://doi.org/10.1007/128_2015_645
Weide, P., Schulz, K., Kaluza, S., Rohe, M., Beranek, R., Muhler, M. (2016). Controlling the Photocorrosion of Zinc Sulfide Nanoparticles in Water by Doping with Chloride and Cobalt Ions Langmuir 32(48), 12641-12649. https://doi.org/10.1021/acs.langmuir.6b03385
Shit, M., Maity, S., Bera, S., Weyhermüller, T., Ghosh, P. (2016). Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate, 4,4'-di-tert-butyl-2,2'-bipyridine and 1,10-phenanthroline anion radicals to oxidovanadium(IV) New Journal of Chemistry 40(12), 10305-10315. https://doi.org/10.1039/c6nj02220k
Ratzke, W., Schmitt, L., Matsuoka, H., Bannwarth, C., Retegan, M., Bange, S., Klemm, P., Neese, F., Grimme, S., Schiemann, O., Lupton, J.M., Höger, S. (2016). Effect of Conjugation Pathway in Metal-Free Room-Temperature Dual Singlet Triplet Emitters for Organic Light-Emitting Diodes Journal of Physical Chemistry Letters 7(22), 4802-4808. https://doi.org/10.1021/acs.jpclett.6b01907
Bhand, S., Patil, R., Shinde, Y., Lande, D.N., Rao, S.S., Kathawate, L., Gejji, S.P., Weyhermüller, T., Salunke-Gawali, S. (2016). Tautomerism in o-hydroxyanilino-1,4-naphthoquinone derivatives: Structure, NMR, HPLC and density functional theoretic investigations Journal of Molecular Structure 1123, 245-260. https://doi.org/10.1016/j.molstruc.2016.06.026
Ye, S., Kupper, C., Meyer, S., Andris, E., Navrátil, R., Krahe, O., Mondal, B., Atanasov, M., Bill, E., Roithová, J., Meyer, F., Neese, F. (2016). Magnetic Circular Dichroism Evidence for an Unusual Electronic Structure of a Tetracarbene-Oxoiron(IV) Complex Journal of the American Chemical Society 138(43), 14312-14325. https://doi.org/10.1021/jacs.6b07708
Jin, G.H., Liu, SQ., Li, YM., Guo, Y., Ding, Z. (2016). Co₃O₄ Nanoparticles-Modified α-MnO₂ Nanorods Supported on Reduced Graphene Oxide as Cathode Catalyst for Oxygen Reduction Reaction in Alkaline Media Nano 11(11), 1650126. https://doi.org/10.1142/S1793292016501265
Caserta, G., Adamska-Venkatesh, A., Pecqueur, L., Atta, M., Artero, V., Roy, S., Reijerse, E., Lubitz, W., Fontecave, M. (2016). Chemical assembly of multiple metal cofactors: The heterologously expressed multidomain [FeFe]-hydrogenase from Megasphaera elsdenii Biochimica et Biophysica Acta (BBA) - Bioenergetics 1857(11), 1734-1740. https://doi.org/10.1016/j.bbabio.2016.07.002
Veis, L., Antalik, A., Brabec, J., Neese, F., Legeza, O., Pittner, J. (2016). Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions Journal of Physical Chemistry Letters 7(20), 4072-4078. https://doi.org/10.1021/acs.jpclett.6b01908 + correction
Miller, D.L., Siedschlag, R.B., Clouston, L.J., Young Jr., V.G., Chen, Y.-S., Bill, E., Gagliardi, L., Lu, C.C. (2016). Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States Inorganic Chemistry 55(19), 9725-9735. https://doi.org/10.1021/acs.inorgchem.6b01487
Rodríguez-Maciá, P., Priyadarshani, N., Dutta, A., Weidenthaler, C., Lubitz, W., Shaw, W.J., Rüdiger, O. (2016). Covalent Attachment of the Water-insoluble Ni(P^Cy₂N^Phe₂)₂ Electrocatalyst to Electrodes Showing Reversible Catalysis in Aqueous Solution Electroanalysis 28(10), 2452-2458. https://doi.org/10.1002/elan.201600306
Mondal, B., Roy, L., Neese, F., Ye, S. (2016). High-Valent Iron-Oxo and -Nitrido Complexes: Bonding and Reactivity Israel Journal of Chemistry 56, 763-772. https://doi.org/10.1002/ijch.201600028
Arrigo, R., Schuster, M.E., Abate, S., Giorgianni, G., Centi, G., Perathoner, S., Wrabetz, S., Pfeifer, V., Antonietti, M., Schlögl, R. (2016). Pd Supported on Carbon Nitride Boosts the Direct Hydrogen Peroxide Synthesis ACS Catalysis 6(10), 6959-6966. https://doi.org/10.1021/acscatal.6b01889
Mette, K., Kühl, S., Tarasov, A., Willinger, M.-G., Kröhnert, J., Wrabetz, S., Trunschke, A., Scherzer, M., Girgsdies, F., Düdder, H., Kähler, K., Ortega, K.F., Muhler, M., Schlögl, R., Behrens, M., Lunkenbein, T. (2016). High-Temperature Stable Ni Nanoparticles for the Dry Reforming of Methane ACS Catalysis 6(10), 7238-7248. https://doi.org/10.1021/acscatal.6b01683
Kalläne, S.I., van Gastel, M. (2016). Raman Spectroscopy as a Method to Investigate Catalytic Intermediates: CO₂ Reducing [Re(Cl)(bpy-R)(CO)₃] Catalyst Journal of Physical Chemistry A 120(38), 7465-7474. https://doi.org/10.1021/acs.jpca.6b07246
Datta, D., Kossmann, S., Neese, F. (2016). Analytic energy derivatives for the calculation of the first-order molecular properties using the domain-based local pair-natural orbital coupled-cluster theory Journal of Chemical Physics 145(11), 114101. https://doi.org/10.1063/1.4962369
Malferrari, M., Savitsky, A., Mamedov, M.D., Milanovsky, G.E., Lubitz, W., Möbius, K., Semenov, A.Y., Venturoli, G. (2016). Trehalose matrix effects on charge-recombination kinetics in Photosystem I of oxygenic photosynthesis at different dehydration levels Biochimica et Biophysica Acta (BBA) - Bioenergetics 1857(9), 1440-1454. https://doi.org/10.1016/j.bbabio.2016.05.001
Kundu, S., Mondal, A., Weyhermüller, T., Sproules, S., Ghosh, P. (2016). Molecular and electronic structures of copper-cuprizone and analogues Inorganica Chimica Acta 451, 23-30. https://doi.org/10.1016/j.ica.2016.06.040
Levin, N., Codesido, N.O., Bill, E., Weyhermüller, T., Gaspari, A.P.S., da Silva, R.S., Olabe, J.A., Slep, L.D. (2016). Structural, Spectroscopic, and Photochemical Investigation of an Octahedral NO-Releasing {RuNO}⁷ Species Inorganic Chemistry 55(16), 7808-7810. https://doi.org/10.1021/acs.inorgchem.6b00719
Maity, S., Kundu, S., Bera, S., Weyhermüller, T., Ghosh, P. (2016). Mixed-Valence o-Iminobenzoquinone and o-Iminobenzosemiquinonate Anion Radical Complexes of Cobalt: Valence Tautomerism European Journal of Inorganic Chemistry 2016(22), 3680-3690. https://doi.org/10.1002/ejic.201600525
Maity, S., Kundu, S., Bera, S., Weyhermüller, T., Ghosh, P. (2016). o-Iminobenzoquinone and o-Iminobenzosemiquinonate Anion Radical Complexes of Rhodium and Ruthenium European Journal of Inorganic Chemistry 2016(22), 3691-3697. https://doi.org/10.1002/ejic.201600526
Dar, U.A., Shand, S., Lande, D.N., Rao, S.S., Patil, Y.P., Gejji, S.P., Nethaji, M., Weyhermüller, T., Salunke-Gawali, S. (2016). Molecular structures of 2-hydroxy-1,4-naphthoqinone derivatives and their zinc(II) complexes: Combining experiment and density functional theory Polyhedron 113, 61-72. https://doi.org/10.1016/j.poly.2016.04.002
Wang, G.H., Cao, Z.W., Gu, D., Pfänder, N., Swertz, AC., Spliethoff, B., Bongard, H.J., Weidenthaler, C., Schmidt, W., Rinaldi, R., Schüth, F. (2016). Nitrogen-Doped Ordered Mesoporous Carbon Supported Bimetallic PtCo Nanoparticles for Upgrading of Biophenolics Angewandte Chemie International Edition 55(31), 8850-8855. https://doi.org/10.1002/anie.201511558
Dutta, A.K., Neese, F., Izsák, R. (2016). Towards a pair natural orbital coupled cluster method for excited states Journal of Chemical Physics 145(3), 34102. https://doi.org/10.1063/1.4958734
Netz, D.J.A., Genau, H.M., Weiler, B.D., Bill, E., Pierik, AJ., Lill, R. (2016). The conserved protein Dre2 uses essential [2Fe-2S] and [4Fe-4S] clusters for its function in cytosolic iron-sulfur protein assembly Biochemical Journal 473(14), 2073-2085. https://doi.org/10.1042/BCJ20160416
Mondal, B., Neese, F., Ye, S. (2016). Toward Rational Design of 3d Transition Metal Catalysts for CO₂ Hydrogenation Based on Insights into Hydricity-Controlled Rate-Determining Steps Inorganic Chemistry 55(11), 5438-5444. https://doi.org/10.1021/acs.inorgchem.6b00471
Castro, A.B., Jung, J., Golhen, S., Le Guennic, B., Ouahab, L., Cador, O., Pointillart, F. (2016). Slow Magnetic Relaxation in Unprecedented Mono-Dimensional Coordination Polymer of Ytterbium Involving Tetrathiafulvalene-Dicarboxylate Linker Magnetochemistry 2(2), 26. https://doi.org/10.3390/magnetochemistry2020026
Wang, F., Büchel, R., Savitsky, A., Zalibera, M., Widmann, D., Pratsinis, S.E., Lubitz, W., Schüth, F. (2016). In Situ EPR Study of the Redox Properties of CuO-CeO₂ Catalysts for Preferential CO Oxidation (PROX) ACS Catalysis 6(6), 3520-3530. https://doi.org/10.1021/acscatal.6b00589
Bera, S., Mondal, S., Maity, S., Weyhermüller, T., Ghosh, P. (2016). Radical and Non-Radical States of the [Os(PIQ)] Core (PIQ=9,10-Phenanthreneiminoquinone): Iminosemiquinone to Iminoquinone Conversion Promoted o-Metalation Reaction Inorganic Chemistry 55(10), 4746-4756. https://doi.org/10.1021/acs.inorgchem.6b00040
Klyushin, A.Y., Greiner, M.T., Huang, X., Lunkenbein, T., Li, X., Timpe, O., Friedrich, M., Hävecker, M., Knop-Gericke, A., Schlögl, R. (2016). Is Nanostructuring Sufficient To Get Catalytically Active Au? ACS Catalysis 6(5), 3372-3380. https://doi.org/10.1021/acscatal.5b02631
Schlögl, R. (2016). Sustainable Energy Systems: The Strategic Role of Chemical Energy Conversion Topics in Catalysis 59(8-9), 772-786. https://doi.org/10.1007/s11244-016-0551-9
Pfeifer, V., Jones, T.E., Velasco-Vélez J.J., Massué, C., Arrigo, R., Teschner, D., Girgsdies, F., Scherzer, M., Greiner, M.T., Allan, J., Hashagen, M., Weinberg, G., Piccinin, S., Hävecker, M., Knop-Gericke, A., Schlögl, R. (2016). The electronic structure of iridium and its oxides Surface and Interface Analysis 48(5), 261-273. https://doi.org/10.1002/sia.5895
Schumann, J., Tarasov, A., Thomas, N., Schlögl, R., Behrens, M. (2016). Cu,Zn-based catalysts for methanol synthesis: On the effect of calcination conditions and the part of residual carbonates Applied Catalysis A - General 516, 117-126. https://doi.org/10.1016/j.apcata.2016.01.037
Pavošević, F., Pinski, P., Riplinger, C., Neese, F., Valeev, E.F. (2016). SparseMaps-A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitals Journal of Chemical Physics 144(14), 144109. https://doi.org/10.1063/1.4945444
Dong, W.W., Chen, P.R., Xia, W., Weide, P., Ruland, H., Kostka, A., Köhler, K., Muhler, M. (2016). Palladium Nanoparticles Supported on Nitrogen-Doped Carbon Nanotubes as a Release-and-Catch Catalytic System in Aerobic Liquid-Phase Ethanol Oxidation ChemCatChem 8(7), 1269-1273. https://doi.org/10.1002/cctc.201501379
Guo, Y., Sivalingam, K., Valeev, E.F., Neese, F. (2016). SparseMaps-A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory Journal of Chemical Physics 144(9), 094111. https://doi.org/10.1063/1.4942769
Hoffeditz, W.L., Katz, M.J., Deria, P., Cutsail III, G.E., Pellin, MJ., Farha, O.K., Hupp, J.T. (2016). One Electron Changes Everything. A Multispecies Copper Redox Shuttle for Dye-Sensitized Solar Cells Journal of Physical Chemistry C 120(7), 3731-3740. https://doi.org/10.1021/acs.jpcc.6b01020
Pfeifer, V., Jones, T.E., Velasco-Vélez, J.J., Massué, C., Greiner, M.T., Arrigo, R., Teschner, D., Girgsdies, F., Scherzer, M., Allan, J., Hashagen, M., Weinberg, G., Piccinin, S., Hävecker, M., Knop-Gericke, A., Schlögl, R. (2016). The electronic structure of iridium oxide electrodes active in water splitting Physical Chemistry Chemical Physics 18(4), 2292-2296. https://doi.org/10.1039/c5cp06997a
Dopieralski, P., Ribas-Arino, J., Anjukandi, P., Krupička, M., Marx, D. (2016). Force-Induced Reversal of ß-Eliminations: Stressed Disulfide Bonds in Alkaline Solution Angewandte Chemie International Edition 55(4), 1304-1308. https://doi.org/10.1002/anie.201508005
Dutta, A.K., Neese, F., Izsák, R. (2016). Speeding up equation of motion coupled cluster theory with the chain of spheres approximation Journal of Chemical Physics 144, 034102. https://doi.org/10.1063/1.4939844
Bera, S., Maity, S., Weyhermüller, T., Ghosh, P. (2016). Arylamino radical complexes of ruthenium and osmium: dual radical counter in a molecule Dalton Transactions 45(48), 19428-19440. https://doi.org/10.1039/c6dt03728c
Ebrahimi, K.H., Bill, E., Hagedoorn, P.L., Hagen, W.R. (2016). Spectroscopic evidence for the role of a site of the di-iron catalytic center of ferritins in tuning the kinetics of Fe(II) oxidation Molecular Biosystems 12(12), 3576-3588. https://doi.org/10.1039/c6mb00235h
Katz, S., Noth, J., Horch, M., Shafaat, H.S., Happe, T., Hildebrandt, P., Zebger, I. (2016). Vibrational spectroscopy reveals the initial steps of biological hydrogen evolution Chemical Science 7(11), 6746-6752. https://doi.org/10.1039/c6sc01098a
Pfeifer, V., Jones, T.E., Wrabetz, S., Massué, C., Velasco-Vélez, J.J., Arrigo, R., Scherzer, M., Piccinin, S., Hävecker, M., Knop-Gericke, A., Schlögl, R. (2016). Reactive oxygen species in iridium-based OER catalysts Chemical Science 7(11), 6791-6795. https://doi.org/10.1039/c6sc01860b
Kundu, S., Chernev, P., Engelmann, X., Chung, C.S., Dau, H., Bill, E., England, J., Nam, W., Ray, K, (2016). A cobalt(II) iminoiodane complex and its scandium adduct: mechanistic promiscuity in hydrogen atom abstraction reactions Dalton Transactions 45, (37), 14538-14543. https://doi.org/10.1039/c6dt01815g
Bera, S., Maity, S., Weyhermüller, T., Ghosh, P. (2016). Radical non-radical states of the [Ru(PIQ)] core in complexes (PIQ=9,10-phenanthreneiminoquinone) Dalton Transactions 45(19), 8236-8247. https://doi.org/10.1039/c6dt00091f
Ockenfels, A., Schapiro, I., Gärtner, W. (2016). Rhodopsins carrying modified chromophores - the 'making of', structural modelling and their light-induced reactivity Photochemical and Photobiological Sciences 15(2), 297-308. https://doi.org/10.1039/c5pp00322a
Shit, M., Bera, S., Maity, S., Maji, S., Weyhermüller, T., Ghosh, P. (2016). Oxidovanadium Complexes of 2,2'-Bipyridine, 1,10 Phenanthroline, and p-Nitro-o-aminophenol - Radical versus Nonradical States European Journal of Inorganic Chemistry 2016(3), 330-338. https://doi.org/10.1002/ejic.201501246
Hendel, S., Schäfers, F., Hävecker, M., Reichardt, G., Scheer, M., Bahrdt, J., Lips, K, (2016). The EMIL project at BESSY II: beamline design and performance AIP Conference Proceedings 1741, 030038. https://doi.org/10.1063/1.4952861
Liu, C., Gao, Z.M., Liu, K., Sun, R.X., Cui, C.B., Holzwarth, A.R., Yang, CH. (2016). Simultaneous refolding of denatured PsbS and reconstitution with LHCII into liposomes of thylakoid lipids Photosynthesis Research 127(1), 109-116. https://doi.org/10.1007/s11120-015-0176-z
Liu, Y.S., Li, W.Z., Li, J., Shen, H.B., Li, Y.M., Guo, Y. (2016). Graphene aerogel-supported and graphene quantum dots-modified γ-MnOOH nanotubes as a highly efficient electrocatalyst for oxygen reduction reaction RSC Advances 6(49), 43116-43126. https://doi.org/10.1039/c6ra04695a
Kitschke, P., Walter, M., Rüffer, T., Seifert, A., Speck, F., Seyller, T., Spange, S., Lang, H., Auer, A.A., Kovalenko, M.V., Mehring, M. (2016). Porous Ge@C materials via twin polymerization of germanium(II) salicyl alcoholates for Li-ion batteries Journal of Materials Chemistry A 4(7), 2705-2719. https://doi.org/10.1039/c5ta09891b
Bachler, V., Gärtner, W. (2016). Electric Field-Assisted Photochemical Water Splitting Should Operate with 287 nm Light Photochemistry and Photobiology 92(3), 399-409. https://doi.org/10.1111/php.12578
Aravena, D., Neese, F., Pantazis, D.A. (2016). Improved Segmented All-Electron Relativistically Contracted Basis Sets for the Lanthanides Journal of Chemical Theory and Computation 12(3), 1148-1156. https://doi.org/10.1021/acs.jctc.5b01048
Costa, P., Lohmiller, T., Trosien, I., Savitsky, A., Lubitz, W., Fernandez-Oliva, M., Sanchez-Garcia, E., Sander, W. (2016). Light and Temperature Control of the Spin State of Bis(p-methoxyphenyl)carbene: A Magnetically Bistable Carbene Journal of the American Chemical Society 138(5), 1622-1629. https://doi.org/10.1021/jacs.5b11696
Aravena, D., Atanasov, M., Neese, F. (2016). Periodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory Inorganic Chemistry 55(9), 4457-4469. https://doi.org/10.1021/acs.inorgchem.6b00244
Kitschke, P., Rüffer, T., Lang, H., Auer, A.A., Mehring, M. (2016). Chiral Spirocyclic Germanium Thiolates - An Evaluation of Their Suitability for Twin Polymerization based on A Combined Experimental and Theoretical Study Chemistry Select 1(6), 1184-1191. https://doi.org/10.1002/slct.201600314
Heinz, S., Rast, A., Shao, L., Gutu, A., Gugel, I.L., Heyno, E., Labs, M., Rengstl, B., Viola, S., Nowaczyk, M.M., Leister, D., Nickelsen, J. (2016). Thylakoid Membrane Architecture in Synechocystis Depends on CurT, a Homolog of the Granal CURVATURE THYLAKOID1 Proteins The Plant Cell 28(9), 2238-2260. https://doi.org/10.1105/tpc.16.00491
Malferrari, M., Savitsky, A., Lubitz, W., Möbius, K., Venturoli, G. (2016). Protein Immobilization Capabilities of Sucrose and Trehalose Glasses: The Effect of Protein/Sugar Concentration Unraveled by High-Field EPR Journal of Physical Chemistry Letters 7(23), 4871-4877. https://doi.org/10.1021/acs.jpclett.6b02449
Wang, C.-C., Chang, H.-C., Lai, Y.-C., Fang, H., Li, C.-C., Hsu, H.-K., Li, Z.-Y., Lin, T.-S., Kuo, T.-S., Neese, F., Ye, S., Chiang, Y.-W., Tsai, M.-L., Liaw, W.-F., Lee, W.-Z. (2016). A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from Its Superoxo Intermediate via Hydrogen Atom Abstraction Journal of the American Chemical Society 138(43), 14186-14189. https://doi.org/10.1021/jacs.6b08642
Sabetghadam, A., Seoane, B., Keskin, D., Duim, N., Rodenas, T., Shahid, S., Sorribas, S., Le Guillouzer, C., Clet, G., Tellez, C., Daturi, M., Coronas, J., Kapteijn, F., Gascon, J. (2016). Metal Organic Framework Crystals in Mixed‐Matrix Membranes: Impact of the Filler Morphology on the Gas Separation Performance Advanced Functional Materials 26(18), 3154-3163. https://doi.org/10.1002/adfm.201505352
Campbell, C., van Santen, R., Stamatakis, M., Collis, N., Freund, H.-J., Plaisance, C., Sauer, J., Garrett, B., Gross, E., Kotarba, A., Weckhuysen, B., Ueda, W., Reece, C., Catlow, R., Trunschke, A., Briquet, L., Ho, V. T., Panas, I., Willock, D., Friend, C., Bowker, M., Robinson, N., Bruix, A., Gupta, S., Gates, B., Corma, A., Madix, R., Maganas, D., Roldan, A., O‘Malley, A., Staszak-Jirkovský, J. (2016). Catalyst design from theory to practice: general discussion Faraday Discussions 188, 279-307. http://doi.org/10.1039/c6fd90016j
Auer A.A., Cap S., Antonietti M., Cherevko S., Deng X., Papakonstantinou G., Sundmacher K., Brüller S., Antonyshyn I., Dimitratos N., Davis R.J., Böhm K.-H., Fechler N., Freakley S., Grin Y., Gunnoe B.T., Haj-Hariri H., Hutchings G., Liang H., Mayrhofer K.J.J., Müllen K., Neese F., Ranjan C., Sankar M., Schlögl R., Schüth F., Spanos I., Stratmann M., Tüysüz H., Vidakovic-Koch T., Yi Y., Zangari G. (2016). MAXNET Energy - Focusing Research in Chemical Energy Conversion on the Electrocatlytic Oxygen Evolution Green 5(1-6), 7-21. http://doi.org/10.1515/green-2015-0021

Book chapters

Chan, C.K., Tüysüz, H., Braun, A., Ranjan, C., La Mantia, F., Miller, B.K., Zhang, L., Crozier, P.A., Haber, J.A., Gregoire, J.M., Park, H.S., Batchellor, A.S., Trotochaud, L., Boettcher, S.W. (2016). Advanced and in situ analytical methods for solar fuel materials Solar Energy for Fuels. Topics in Current Chemistry 371, 253-324. https://doi.org/10.1007/128_2015_650
DeBeer, S., Bergmann U. (2016). X-ray Emission Spectroscopic Techniques in Bioinorganic Applications Encyclopedia of Inorganic and Bioinorganic Chemistry https://doi.org/10.1002/9781119951438.eibc2158

Others

Lubitz, W., Lohmiller, T., Cox, N. (2016). Water oxidation and oxygen evolution in photosynthesis. An enzyme that changed the world. Bunsen-Magazin 101, 216-223. https://bunsen.de/fileadmin/user_upload/A_BM_6_2016_96dpi.pdf