Publikationen / Publications

2014

Journals

  • Ali, M. E., Nair, N.N. Retegan, M., Neese, F., Stämmler, V., Marx, M. (2014). The iron-sulfur core in Rieske proteins is not symmetric Journal of Biological Inorganic Chemistry 19(8), 1287-1293. https://doi.org/10.1007/s00775-014-1185-7
  • Chen, Z.-H., Raffelberg, S., Losi, A., Schaap, P., Gärtner, W. (2014). A cyanobacterial light activated adenylyl cyclase partially restores development of a Dictyostelium discoideum, adenylyl cyclase a null mutant Journal of Biotechnology 191, 246-249. https://doi.org/10.1016/j.jbiotec.2014.08.008
  • Altun, A., Breidung, J., Neese, F., Thiel, W. (2014). Correlated Ab Initio and Density Functional Studies on H2 Activation by FeO+ Journal of Chemical Theory and Computation 10(9), 3807-3820. https://doi.org/10.1021/ct500522d
  • Anders, K., Gutt, A., Gärtner, W., Essen, L.-O. (2014). Phototransformation of the Red Light Sensor Cyanobacterial Phytochrome 2 from Synechocystis Species Depends on Its Tongue Motifs Journal of Biological Chemistry 289, 37, 25590-25600. https://doi.org/10.1074/jbc.M114.562082
  • Arrigo, R., Schuster, M. E., Abate, S., Wrabetz, S., Amakawa, K., Teschner, D., Freni, M., Centi, G., Perathoner, S., Hävecker, M., Schlögl, R. (2014). Dynamics of Palladium on Nanocarbon in the Direct Synthesis of H2O2 ChemSusChem 7(1), 179-194. https://doi.org/10.1002/cssc.201300616
  • Auerbach, H., Faus, I., Rackwitz, S., Wolny, J., Walker, F.A., Chumakov, A.I., Ogata, H., Knipp, M., Schünemann, M. (2014). Nitric oxide heme interactions in nitrophorin 7 investigated by nuclear inelastic scattering Hyperfine Interactions 226(1-3), 439-443. https://doi.org/10.1007/s10751-013-0982-7
  • Asami, K., Takashina, A., Kobayashi, M., Iwatsuki, S., Yajima, T., Kochem, A., van Gastel, M., Tani, F., Kohzuma, T., Thomas, F., Shimazaki, Y. (2014). Characterization of one-electron oxidized copper(II)-salophen-type complexes; effects of electronic and geometrical structures on reactivities Dalton Transactions 43(5), 2283-2293. https://doi.org/10.1039/C3DT52338A
  • Bjornsson, R., Lima, F. A., Spatzal, T., Weyhermüller, T., Glatzel, T., Bill, E., Einsle, O., Neese, F., DeBeer, S. (2014). Identification of a spin-coupled Mo(III) in the nitrogenase iron-molybdenum cofactor Chemical Science 5(8), 3096-3103. https://doi.org/10.1039/C4SC00337C
  • Blusch, L. K., Mitevski, O., Martin-Diaconescu, V., Pröpper, K., DeBeer, S., Dechert, S., Meyer, F. (2014). Selective Synthesis and Redox Sequence of a Heterobimetallic Nickel/Copper Complex of the Noninnocent Siamese-Twin Porphyrin Inorganic Chemistry 53(15), 7876-7885. https://doi.org/10.1021/ic500460n
  • Böhm, K.H, Banert, K., Auer, A.A. (2014). Identifying Stereoisomers by ab-initio Calculation of Secondary Isotope Shifts on NMR Chemical Shieldings Molecules 19(4), 5301-5312. https://doi.org/10.3390/molecules19045301
  • Bykov, D., Plog, M., Neese, F., (2014). Heme-bound nitroxyl, hydroxylamine, and ammonia ligands as intermediates in the reaction cycle of cytochrome c nitrite reductase: a theoretical study Journal of Biological Inorganic Chemistry 19(1), 97-112. https://doi.org/10.1007/s00775-013-1065-6
  • Carrero, C.A., Schlögl, R., Wachs, I.E., Schomaecker, R. (2014). Critical Literature Review of the Kinetics for the Oxidative Dehydrogenation of Propane over Well-Defined Supported Vanadium Oxide Catalysts ACS Catalysis 4(10), 3357-3380. https://doi.org/10.1021/cs5003417
  • Chandrasekaran, P., Greene, A.F., Lillich, K., Capone, S., Mague, J.T., DeBeer, S., Donahue, J.P. (2014). A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association Inorganic Chemistry 53(17), 9192-9205. https://doi.org/10.1021/ic501273b
  • Chan, S.-C., England, J., Wieghardt, K., Wong, C.-Y. (2014). Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science 5(10), 3883-3887. https://doi.org/10.1039/C4SC01185F
  • Codesido, N. O., Weyhermüller, T., Olabe, J.A., Slep, L.D. (2014). Nitrosyl-Centered Redox and Acid-Base Interconversions in [Ru(Me3[9]aneN3)(bpy)(NO)]3,2,1+. The pKa of HNO for its Nitroxyl Derivative in Aqueous Solution.  Inorganic Chemistry 53, 2, 981-997 https://doi.org/10.1021/ic402448p
  • Cormanich, R. A., Durie, A., Bjornsson, R., Rittner, R., O'Hagan, D., Bühl, M. (2014). Density Functional Study of Interactions between Fluorinated Cyclohexanes and Arenes Helvetica Chimica Acta 97, 6, 797-807. https://doi.org/10.1002/hlca.201400049
  • Cox, N., Retegan, M., Neese, F., Pantazis, D.A., Boussac, A., Lubitz, W. (2014). Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formation Science 345(6198), 804-808. https://doi.org/10.1126/science.1254910 
  • Darmon, J.M., Yu, R.P., Semproni, S.P., Turner, Z.R., Stieber, S.C.E., DeBeer, S., Chirik, P.J. (2014). Electronic Structure Determination of Pyridine N-Heterocyclic Carbene Iron Dinitrogen Complexes and Neutral Ligand Derivatives Organometallics 33(19), 5423-5433. https://doi.org/10.1021/om500727t
  • Adamska-Venkatesh, A., Krawietz, D., Siebel, J. F., Weber, K., Happe, T., Reijerse, E.J., Lubitz, W. (2014). New Redox States Observed in [FeFe] Hydrogenases Reveal Redox Coupling Within the H-Cluster Journal of the American Chemical Society 136(32), 11339-11346. https://doi.org/10.1021/ja503390c
  • Dugan, T. R., Bill, E., Cory MacLeod, K., Brennessel, W.W., Holland, P.L. (2014). Synthesis, Spectroscopy, and Hydrogen/Deuterium Exchange in High-Spin Iron(II) Hydride Complexes.  Inorganic Chemistry 53(5), 2370-2380. https://doi.org/10.1021/ic4013137
  • Falkenhagen, J.P, Braun, B., Bill, E., Sattler, D., Limberg, C. (2014). A Cubic Fe4Mo4 Oxo Framework and Its Reversible Four-Electron Redox Chemistry Inorganic Chemistry 53(14), 7294-7308. https://doi.org/10.1021/ic500584a
  • Gansäuer, A., Karbaum, P., Schmauch, D., Einig, M., Shi, L.L., Anoop, A., Neese, F. (2014). Synthetic and Computational Evaluation of Regiodivergent Epoxide Opening for Diol and Polyol Synthesis Chemistry - An Asian Journal 9(8), 2289-2294. https://doi.org/10.1002/asia.201402159 Back Cover
  • Gast, P., Herbonnet, R. T. L., Klare, J., Nalepa, A., Rickert, C. Stellinga, D. Urban, L. Möbius, K., Savitsky, A., Steinhoff, H.-J., Groenen, E.J.J. (2014). Hydrogen bonding of nitroxide spin labels in membrane proteins Physical Chemistry Chemical Physics 16(30), 15910-15916. https://doi.org/10.1039/C4CP01741B
  • Geng, C., Ye, S., Neese, F., (2014). Does a higher metal oxidation state necessarily imply higher reactivity toward H-atom transfer? A computational study of C-H bond oxidation by high-valent iron-oxo and -nitrido complexes Dalton Transactions 43(16), 6079-6086. https://doi.org/10.1039/C3DT53051E
  • Hall, E.R., Pollock, C.J., Bendix, J., Collins, T.J., Glatzel, P., DeBeer, S. (2014). Valence-to-Core-Detected X-ray Absorption Spectroscopy: Targeting Ligand Selectivity Journal of the American Chemical Society 136(28), 10076-10084. https://doi.org/10.1021/ja504206y
  • Albarracin, V. H., Simon, J., Pathak, G.P., Valle, L., Douki, T., Cadet, J., Borsarelli, C.D., Farias, M.E., Gärtner, W. (2014). First characterisation of a CPD-class I photolyase from a UV-resistant extremophile isolated from High-Altitude Andean Lakes Photochemical & Photobiological Sciences 13(5), 739-750. https://doi.org/10.1039/C3PP50399B
  • Hong, S., Pfaff, F. F., Kwon, E., Wang, Y., Seo, M.-S., Bill, E., Ray, K., Nam, W. (2014). Spectroscopic Capture and Reactivity of a Low-Spin Cobalt(IV)-Oxo Complex Stabilized by Binding Redox-Inactive Metal Ions Angewandte Chemie International Edition 53(39), 10403-10407. https://doi.org/10.1002/anie.201405874 + correction
  • Hsieh, C.H., Ding, S.D., Erdem, Ö.F., Crouthers, D.J., Liu, T.B., McCrory, C.C.L., Lubitz, W., Popescu, C.V., Reibenspies, J.H., Hall, M.B., Darensbourg, M.Y. (2014). Redox active iron nitrosyl units in proton reduction electrocatalysis Nature Communications 5, 3684. https://doi.org/10.1038/ncomms4684
  • Jayarathne, U., Chandrasekaran, P., Greene, A.F., Mague, J.T., DeBeer, S., Lancaster, K.M., Sproules, S., Donahue, J.P. (2014). X-ray Absorption Spectroscopy Systematics at the Tungsten L-Edge Inorganic Chemistry 53(16), 8230-8241. https://doi.org/10.1021/ic500256a
  • Kathawate, L., Joshi, P.V., Dash, T.K., Pal, S., Nikalje, M., Weyhermüller, T., Puranik, V.G., Konkimalla V.B., Salunke-Gawali S. (2014). Reaction between lawsone and aminophenol derivatives: Synthesis, characterization, molecular structures and antiproliferative activity Journal of Molecular Structure 1075, 397-405. https://doi.org/10.1016/j.molstruc.2014.07.007
  • Kempe, P., Löschner, T., Auer, A.A., Seifert, A., Cox, G., Spange, S. (2014). Thermally Induced Twin Polymerization of 4H-1,3,2-Benzodioxasilines Chemistry-A European Journal 20(26), 8040-8053. https://doi.org/10.1002/chem.201400038
  • Khanmohammadi, H., Erfantalab, M., Reijerse, E.J. (2014). Mononuclear copper(II) complexes of bis-triazole-based macrocyclic Schiff base hydrazones: direct synthesis, EPR studies, magnetic and thermal properties Journal of the Iranian Chemical Society 11(2), 323-333. https://doi.org/10.1007/s13738-013-0303-8
  • King, A. E., Nippe, M., Atanasov, M., Chantarojsiri, T., Wray, C.A., Bill, E., Neese, F., Long, J.R., Chang, C.J. (2014). A Well-Defined Terminal Vanadium(III) Oxo Complex Inorganic Chemistry 53(21), 11388-11395 https://doi.org/10.1021/ic5010177 Cover
  • Kitschke, P., Auer, A.A., Löschner, T., Seifert, A., Spange, S., Rüffer, T., Lang, H., Mehring, M. (2014). Microporous Carbon and Mesoporous Silica by Use of Twin Polymerization: An Integrated Experimental and Theoretical Approach to Precursor Reactivity ChemPlusChem 79(7), 1009-1023. https://doi.org/10.1002/cplu.201402029
  • Kitschke, P., Auer, A.A., Seifert, A., Rüffer, T., Lang, H., Mehring, M. (2014). Synthesis, characterization and Twin Polymerization of a novel dioxagermine Inorganica Chimica Acta 409 (Part B), 472-478. https://doi.org/10.1016/j.ica.2013.09.052
  • Klein, E.L., Belaidi, A.A., Raitsimring, A.M., Davis, A.M., Krämer, T., Astashkin, A.V., Neese, F., Schwarz, G., Enemark, J.H. (2014). Pulsed Electron Paramagnetic Resonance Spectroscopy of 33S-Labeled Molybdenum Cofactor in Catalytically Active Bioengineered Sulfite Oxidase Inorganic Chemistry 53(2), 961-971. https://doi.org/10.1021/ic4023954
  • Neese, F. (2014). Sum‐over‐states based multireference ab initio calculation of EPR spin Hamiltonian parameters for transition metal complexes. A case study Magnetic Resonance in Chemistry 42, S187-S198. https://doi.org/10.1002/mrc.1456
  • Kochem, A., Carrillo, A., Philouze, C., van Gastel, M., d'Hardemare, A.D., Thomas, F. (2014). Copper(II)-Coordinated α-Azophenols: Effect of the Metal-Ion Geometry on Phenoxyl/Phenolate Oxidation Potential and Reactivity European Journal of Inorganic Chemistry (26), 4263-4267. https://doi.org/10.1002/ejic.201402312
  • Kochem, A., Gellon, G., Jarjayes, O., Philouze, C., Leconte, N., van Gastel, M., Bill, E., Thomas, F. (2014). A singlet ground state for a cobalt(II)-anilinosalen radical complex dagger Chemical Communications 50(38), 4924-4926. https://doi.org/10.1039/C4CC00952E
  • Kochem, A., Neese, F., van Gastel, M. (2014). Spectroscopic and Quantum Chemical Study of the Ni((PPh2NC6H4CH2P(O)(OEt)22)2 Electrocatalyst for Hydrogen Production with Emphasis on the NiI Oxidation State Journal of Physical Chemistry C 118(5), 2350-2360. https://doi.org/10.1021/jp411710b
  • Kollmar, C., Neese, F. (2014). The static response function in Kohn-Sham theory: An appropriate basis for its matrix representation in case of finite AO basis sets Journal of Chemical Physics 141(13), 134106. https://doi.org/10.1063/1.4896897
  • Koto, T., Michalski, R., Zielonka, J., Joseph, J., Kalyanaraman, B. (2014). Detection and identification of oxidants formed during NO/O2•- reaction: A multi-well plate CW-EPR spectroscopy combined with HPLC analyses Free Radical Research 48(4), 478-486. https://doi.org/10.3109/10715762.2014.886774
  • Krahe, O., Bill, E., Neese, F. (2014). Decay of Iron(V) Nitride Complexes By a N—N Bond-Coupling Reaction in Solution: A Combined Spectroscopic and Theoretical Analysis Angewandte Chemie International Edition 53(33), 8727-8731. https://doi.org/10.1002/anie.201403402
  • Krupička, M., Sander W., Marx, D. (2014). Mechanical Manipulation of Chemical Reactions (2014). Reactivity Switching of Bergman Cyclizations Journal of Physical Chemistry Letters 5(5), 905-909. https://doi.org/10.1021/jz402644e
  • Liu, W.J., Christian, J.H., Al-Oweini, R., Bassil, B.S., van Tol, J., Atanasov, M., Neese, F., Dalal, N.S., Kortz, U. (2014). Synthesis, Detailed Characterization, and Theoretical Understanding of Mononuclear Chromium(III)-Containing Polyoxotungstates [CrIII(HXVW7O28)2]13- (X = P, As) with Exceptionally Large Magnetic Anisotropy Inorganic Chemistry 53(17), 9274-9283. https://doi.org/10.1021/ic501385r
  • Lohmiller, T., Krewald, V., Perez-Navarro, M., Retegan, M., Rapatskiy, L., Nowaczyk, M.M., Boussac, A., Neese, F., Lubitz, W., Pantazis, D.A., Cox, N. (2014). Structure, ligands and substrate coordination of the oxygen-evolving complex of photosystem II in the S2 state: a combined EPR and DFT study Physical Chemistry Chemical Physics 16(24), 11877-11892. https://doi.org/10.1039/C3CP55017F
  • Lubitz, W., Ogata, H., Rüdiger, O., Reijerse, E. (2014). Hydrogenases Chemical Reviews 114(8), 4081-4148. https://doi.org/10.1021/cr4005814
  • Maganas, D., DeBeer, S., Neese, F. (2014). Restricted Open-Shell Configuration Interaction Cluster Calculations of the L-Edge X-ray Absorption Study of TiO2 and CaF2 Solids Inorganic Chemistry 53(13), 6374-6385. https://doi.org/10.1021/ic500197v
  • Maganas, D., Kristiansen, P., Duda, L.C., Knop-Gericke, A., DeBeer, S., Schlögl, R., Neese, F. (2014). Combined Experimental and Ab Initio Multireference Configuration Interaction Study of the Resonant Inelastic X-ray Scattering Spectrum of CO2 Journal of Physical Chemistry C 118(35), 20163-20175. https://doi.org/10.1021/jp505628y
  • Maganas, D., Roemelt, M., Weyhermüller, T., Blume, R., Hävecker, M, Knop-Gericke, A., DeBeer, S., Schlögl, R., Neese, F., (2014). L-edge X-ray absorption study of mononuclear vanadium complexes and spectral predictions using a restricted open shell configuration interaction ansatz Physical Chemistry Chemical Physics 16(1), 264-276. https://doi.org/10.1039/c3cp52711e
  • Malferrari, M., Nalepa A. I., Venturoli, G., Francia, F., Lubitz, W., Möbius, K., Savitsky, A. (2014). Structural and dynamical characteristics of trehalose and sucrose matrices at different hydration levels as probed by FTIR and high-field EPR Physical Chemistry Chemical Physics 16(21), 9831-9848. https://doi.org/10.1039/c3cp54043j
  • Manikandamathavan, V. M., Weyhermüller, T., Parameswari, R.P., Sathishkumar, M., Subramanian, V., Nair, B.U. (2014). DNA/protein interaction and cytotoxic activity of imidazole terpyridine derived Cu(II)/Zn(II) metal complexes Dalton Transactions 43(34), 13018-13031. https://doi.org/10.1039/C4DT01378F
  • Marchanka, A., Lubitz, W., Plato, M., van Gastel, M. (2014). Comparative ENDOR study at 34 GHz of the triplet state of the primary donor in bacterial reaction centers of Rb. sphaeroides and Bl. Viridis Photosynthesis Research 120(1-2), 99-111. https://doi.org/10.1007/s11120-012-9786-x
  • Messinger, J., Lubitz, W., Shen, J.-R. (2014). Photosynthesis: from natural to artificial Physical Chemistry Chemical Physics 16(24), 11810-11811. https://doi.org/10.1039/C4CP90053G
  • Misra, S. K., Andronenko, S.I., Thurber, A., Punnoose, A., Nalepa, A. (2014). An X- and Q-band Fe3+ EPR study of nanoparticles of magnetic semiconductor Zn1-xFexO Journal of Magnetism and Magnetic Materials 363, 82-87. https://doi.org/10.1016/j.jmmm.2014.03.031
  • Nalepa, A., Möbius, K., Lubitz, W., Savitsky, A. (2014). High-field ELDOR-detected NMR study of a nitroxide radical in disordered solids: Towards characterization of heterogeneity of microenvironments in spin-labeled systems Journal of Magnetic Resonance 242, 203-213. https://doi.org/10.1016/j.jmr.2014.02.026
  • Neu, H.M., Quesne, M.G., Yang, T.S., Prokop-Prigge, K.A., Lancaster, K.M., Donohoe, J., DeBeer, S., de Visser, S.P., Goldberg, D.P. (2014). Dramatic Influence of an Anionic Donor on the Oxygen-Atom Transfer Reactivity of a MnV-Oxo Complex Chemistry-A European Journal 20(45), 14584-14588. https://doi.org/10.1002/chem.201404349
  • Nooijen, M., Demel, O., Datta, D., Kong, L., Shamasundar, K.R., Lotrich, V., Huntington, L.M., Neese, F., (2014). Multireference equation of motion coupled cluster (2014). A transform and diagonalize approach to electronic structure Journal of Chemical Physics 140(8), 081102. https://doi.org/10.1063/1.4866795
  • Novikov, V.V., Pavlov, A.A., Belov, A.S., Vologzhanina, A.V., Savitsky, A., Voloshin, Y.Z. (2014). Transition Ion Strikes Back: Large Magnetic Susceptibility Anisotropy in Cobalt(II) Clathrochelates Journal of Physical Chemistry Letters 5(21), 3799-3803. https://doi.org/10.1021/jz502011z  
  • Ogata, H., Decaneto, E., Grossman, M., Havenith, M., Sagi, I., Lubitz, W., Knipp, M. (2014). Crystallization and preliminary X-ray crystallographic analysis of the catalytic domain of membrane type 1 matrix metalloproteinase Acta Crystallographica Section F: Structural Biology and Crystallization Communications 70, 232-235. https://doi.org/10.1107/S2053230X13034857
  • Ogata, H., Lubitz, W. (2014). Protein Crystallography Using Free-Electron Lasers: Water Oxidation in Photosynthesis Angewandte Chemie International Edition 53(48), 13007-13008. https://doi.org/10.1002/anie.201408672
  • Pantazis, D.A., Neese, F. (2014). All-electron basis sets for heavy elements Wiley Interdisciplinary Reviews: Computational Molecular Science 4(4), 363-374. https://doi.org/10.1002/wcms.1177
  • Patil, R., Chadar, D., Chaudhari, D., Peter, J., Nikalje, M., Weyhermüller, T., Salunke-Gawali, S. (2014). Synthesis and characterization of 2-(n-alkylamino)-1,4-napthoquinone: Molecular structures of ethyl and hexyl derivatives Journal of Molecular Structure 1075, 345-351. https://doi.org/10.1016/j.molstruc.2014.06.094
  • Patra, S.C., Roy, A.S., Manivannan, V., Weyhermüller, T., Ghosh, P. (2014). Ruthenium, osmium and rhodium complexes of 1,4-diaryl 1,4-diazabutadiene: radical versus non-radical states Dalton Transactions 43(36), 13731-13741. https://doi.org/10.1039/C4DT01241K
  • Patra, S.C., Weyhermüller, T., Ghosh, P. (2014). Ruthenium, Rhodium, Osmium, and Iridium Complexes of Osazones (Osazones = Bis-Arylhydrazones of Glyoxal) (2014). Radical versus Nonradical States Inorganic Chemistry 53(5), 2427-2440. https://doi.org/10.1021/ic4022432
  • Pavosevic, F., Neese, F., Valeev, E.F. (2014). Geminal-spanning orbitals make explicitly correlated reduced-scaling coupled-cluster methods robust, yet simple Journal of Chemical Physics 141(5), 054106. https://doi.org/10.1063/1.4890002
  • Pedersen, K.S., Lorusso, G., Morales, J.J., Weyhermüller, T., Piligkos, S., Singh, S.K., Larsen, D., Schau-Magnussen, M., Rajaraman, G., Evangelisti, M., Bendix, J. (2014). Fluoride-Bridged {GdIII3 MIII2} (M= Cr, Fe, Ga) Molecular Magnetic Refrigerants Angewandte Chemie International Edition 53(9), 2394-2397. https://doi.org/10.1002/anie.201308240
  • Pedersen, K.S., Sigrist, M., Sørensen, M.A., Barra, A.-L., Weyhermüller, T., Piligkos, S., Thuesen, C. Aa., Vinum, M.G., Mutka, H., Weihe, H., Clérac, R., Bendix, J. (2014). [ReF6]2- A Robust Module for the Design of Molecule-Based Magnetic Materials Angewandte Chemie International Edition 53( 5), 1351-1354. https://doi.org/10.1002/anie.201309981
  • Peintinger, M.F., Bredow, T. (2014). The Cyclic Cluster Model at Hartree-Fock Level Journal of Computational Chemistry 35(11), 839-846. https://doi.org/10.1002/jcc.23550 Inside front cover
  • Peintinger, M.F., Kratz, M.J., Bredow, T. (2014). Quantum-chemical study of stable, meta-stable and high-pressure alumina polymorphs and aluminum hydroxides Journal of Materials Chemistry A 2(32), 13143-13158. https://doi.org/10.1039/c4ta02663b
  • Pennacchietti, F., Abbruzzetti, S., Losi, A., Mandalari, C., Bedotti, R., Viappiani, C., Zanacchi, F.C., Diaspro, A., Gärtner, W. (2014). The Dark Recovery Rate in the Photocycle of the Bacterial Photoreceptor YtvA Is Affected by the Cellular Environment and by Hydration PLoS ONE 9(9), e107489. https://doi.org/10.1371/journal.pone.0107489
  • Pinski, P., Csanyi, G. (2014). Reactive Many-Body Expansion for a Protonated Water Cluster Journal of Chemical Theory and Computation 10(1), 68-75. https://doi.org/10.1021/ct400488x
  • Plenk, C., Weyhermüller, T., Rentschler, E. (2014). Folded Cr12Co12 and Cr12 Ni12 wheels (2014). a sharp increase in nuclearity of heterometallic chromium rings Chemical Communications 50(29), 3871-3873. https://doi.org/10.1039/C4CC00895B
  • Plumeré, N., Rüdiger, O., Oughli, A.A., Williams, R., Vivekananthan, J., Pöller, S., Schuhmann, W., Lubitz, W. (2014). A redox hydrogel protects hydrogenase from high-potential deactivation and oxygen damage Nature Chemistry 6(9), 822-827. https://doi.org/10.1038/nchem.2022
  • Pollock, C. J., Delgado-Jaime, M.U., Atanasov, M., Neese, F., DeBeer, S. (2014). Kβ Mainline X-ray Emission Spectroscopy as an Experimental Probe of Metal-Ligand Covalency Journal of the American Chemical Society 136(26), 9453-9463. https://doi.org/10.1021/ja504182n
  • Pollock, C. J., Lancaster, K.M., Finkelstein, K.D., DeBeer, S. (2014). Study of Iron Dimers Reveals Angular Dependence of Valence-to-Core X-ray Emission Spectra Inorganic Chemistry 53(19), 10378-10385. https://doi.org/10.1021/ic501462y
  • Pollock, C. J., Tan, L.L., Zhang, W., Lancaster, K.M., Lee, S.C., DeBeer, S. (2014). Light-Atom Influences on the Electronic Structures of Iron Sulfur Clusters Inorganic Chemistry 53(5), 2591-2597. https://doi.org/10.1021/ic402944r
  • Razzaghi, S., Qi, M., Nalepa, A.I., Godt, A., Jeschke, G., Savitsky, A., Yulikov, M. (2014). RIDME Spectroscopy with Gd(III) Centers Journal of Physical Chemistry Letters 5(22), 3970-3975. https://doi.org/10.1021/jz502129t
  • Retegan, M., Cox, N., Lubitz, W., Neese, F., Pantazis, D.A. (2014). The first tyrosyl radical intermediate formed in the S2-S3 transition of photosystem II.  Physical Chemistry Chemical Physics 16(24), 11901-11910. https://doi.org/10.1039/C4CP00696H
  • Retegan, M., Cox, N., Pantazis, D.A., Neese, F. (2014). A First-Principles Approach to the Calculation of the on-Site Zero-Field Splitting in Polynuclear Transition Metal Complexes Inorganic Chemistry 53(21), 11785-11793. https://doi.org/10.1021/ic502081c
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