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There are 38109 results for: content related to: Theoretical EXAFS studies of a model of the oxygen-evolving complex of photosystem II obtained with the quantum cluster approach

  1. Exploring Actinide Materials Through Synchrotron Radiation Techniques

    Advanced Materials

    Volume 26, Issue 46, December 10, 2014, Pages: 7807–7848, Wei-Qun Shi, Li-Yong Yuan, Cong-Zhi Wang, Lin Wang, Lei Mei, Cheng-Liang Xiao, Li Zhang, Zi-Jie Li, Yu-Liang Zhao and Zhi-Fang Chai

    Article first published online : 28 AUG 2014, DOI: 10.1002/adma.201304323

  2. Combined EXAFS and DFT Structure Calculations Provide Structural Insights into the 1:1 Multi-Histidine Complexes of CuII, CuI, and ZnII with the Tandem Octarepeats of the Mammalian Prion Protein

    Chemistry - A European Journal

    Volume 20, Issue 31, July 28, 2014, Pages: 9770–9783, Dr. M. Jake Pushie, Kurt H. Nienaber, Dr. Alex McDonald, Prof. Dr. Glenn L. Millhauser and Prof. Dr. Graham N. George

    Article first published online : 7 JUL 2014, DOI: 10.1002/chem.201304201

  3. Cu K-Edge EXAFS Characterisation of Copper(I) Arenethiolate Complexes in both the Solid and Liquid State: Detection of Cu[BOND]Cu Coordination

    Chemistry - A European Journal

    Volume 8, Issue 24, December 16, 2002, Pages: 5667–5678, Moniek Tromp, Jeroen A. van Bokhoven, Anne M. Arink, Johannes H. Bitter, Gerard van Koten and Diederik C. Koningsberger

    Article first published online : 13 DEC 2002, DOI: 10.1002/1521-3765(20021216)8:24<5667::AID-CHEM5667>3.0.CO;2-O

  4. Full geometry optimizations of the mixed-valence CaMn4O4X(H2O)4 (X=OH or O) cluster in OEC of PS II: Degree of symmetry breaking of the labile Mn-X-Mn bond revealed by several hybrid DFT calculations

    International Journal of Quantum Chemistry

    Volume 113, Issue 4, 15 February 2013, Pages: 525–541, K. Yamaguchi, H. Isobe, S. Yamanaka, T. Saito, K. Kanda, M. Shoji, Y. Umena, K. Kawakami, J.-R. Shen, N. Kamiya and M. Okumura

    Article first published online : 13 APR 2012, DOI: 10.1002/qua.24117

  5. High-Energy X-ray Absorption Spectroscopy: A New Tool for Structural Investigations of Lanthanoids and Third-Row Transition Elements

    Chemistry - A European Journal

    Volume 14, Issue 10, March 27, 2008, Pages: 3045–3055, Paola D'Angelo, Simone De Panfilis, Adriano Filipponi and Ingmar Persson

    Article first published online : 1 FEB 2008, DOI: 10.1002/chem.200701282

  6. Applications of X-ray Absorption Spectroscopy in Heterogeneous Catalysis: EXAFS, Atomic XAFS, and Delta XANES

    Standard Article

    Handbook of Heterogeneous Catalysis

    Diek C. Koningsberger and Dave E. Ramaker

    Published Online : 15 JAN 2008, DOI: 10.1002/9783527610044.hetcat0040

  7. 3D EXAFS refinement of the Cu site of azurin sheds light on the nature of structural change at the metal centre in an oxidation–reduction process: an integrated approach combining EXAFS and crystallography

    Acta Crystallographica Section D

    Volume 56, Issue 6, June 2000, Pages: 697–704, Kan-Cheung Cheung, Richard W. Strange and S. Samar Hasnain

    DOI: 10.1107/S0907444900003310

  8. An investigation of the use of the Hedin–Lundqvist exchange and correlation potential in EXAFS data analysis

    Journal of Synchrotron Radiation

    Volume 8, Issue 4, July 2001, Pages: 1095–1102, Mervyn Roy and S. J. Gurman

    DOI: 10.1107/S0909049501006434

  9. X-ray diffraction, neutron scattering and EXAFS spectroscopy of monoclinic zirconia: analysis by Rietveld refinement and reverse Monte Carlo simulations

    Journal of Applied Crystallography

    Volume 35, Issue 4, August 2002, Pages: 434–442, Markus Winterer, Robert Delaplane and Robert McGreevy

    DOI: 10.1107/S0021889802006829

  10. EXAFS as Powerful Analytical Tool for the Investigation of Organic–Inorganic Hybrid Materials

    Advanced Functional Materials

    Volume 20, Issue 23, December 8, 2010, Pages: 4026–4047, Silvia Gross and Matthias Bauer

    Article first published online : 15 NOV 2010, DOI: 10.1002/adfm.201000095

  11. Extended X-ray Absorption Fine Structure (EXAFS) Studies of Hydroxo(oxo)iron Aggregates and Minerals, and a Critique of their Use as Models for Ferritin

    Chemistry - A European Journal

    Volume 2, Issue 6, June 1996, Pages: 634–639, Dr. Sarah L. Heath, Dr. John M. Charnock, Prof. C. David Garner and Dr. Annie K. Powell

    Article first published online : 21 FEB 2006, DOI: 10.1002/chem.19960020606

  12. Geometrical Structure of Yttrium and Metal–Bromine Complexes in Solution: Limitations of Extended X-ray Absorption Fine Structure Analysis (EXAFS)

    Chemistry - A European Journal

    Volume 7, Issue 5, March 2, 2001, Pages: 1102–1108, Jesús Chaboy, Adela Muñoz-Páez and Sofía Díaz-Moreno

    Article first published online : 23 FEB 2001, DOI: 10.1002/1521-3765(20010302)7:5<1102::AID-CHEM1102>3.0.CO;2-4

  13. Local structure and dynamics of wurtzite-type ZnO from simulation-based EXAFS analysis

    physica status solidi (c)

    Volume 11, Issue 9-10, September 2014, Pages: 1472–1475, Janis Timoshenko, Andris Anspoks, Aleksandr Kalinko and Alexei Kuzmin

    Article first published online : 7 MAY 2014, DOI: 10.1002/pssc.201300615

  14. Surface-Mediated Synthesis of Dimeric Rhodium Catalysts on MgO: Tracking Changes in the Nuclearity and Ligand Environment of the Catalytically Active Sites by X-ray Absorption and Infrared Spectroscopies

    Chemistry - A European Journal

    Volume 19, Issue 4, January 21, 2013, Pages: 1235–1245, Dicle Yardimci, Dr. Pedro Serna and Prof. Bruce C. Gates

    Article first published online : 3 DEC 2012, DOI: 10.1002/chem.201202514

  15. Surface-sensitive reflection-mode EXAFS from layered sample systems: the influence of surface and interface roughness

    Journal of Synchrotron Radiation

    Volume 16, Issue 4, July 2009, Pages: 443–454, P. Keil and D. Lützenkirchen-Hecht

    DOI: 10.1107/S0909049509015684

  16. X-Ray Absorption Spectroscopy of Amorphous Solids, Liquids, and Catalytic and Biochemical Systems—Capabilities and Limitations

    Angewandte Chemie International Edition in English

    Volume 33, Issue 1, January 17, 1994, Pages: 45–66, Prof. Dr. Helmut Bertagnolli and Dr. Teja S. Ertel

    Article first published online : 22 DEC 2003, DOI: 10.1002/anie.199400451

  17. XAFS investigations of copper(II) complexes with tetradentate Schiff base ligands

    X-Ray Spectrometry

    Volume 41, Issue 6, November/December 2012, Pages: 384–392, Abhijeet Gaur, B. D. Shrivastava, K. Srivastava, J. Prasad and Sandeep K. Singh

    Article first published online : 30 AUG 2012, DOI: 10.1002/xrs.2418

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    The role of zinc in the methylation of the coenzyme M thiol group in methanol:coenzyme M methyltransferase from Methanosarcina barkeri

    European Journal of Biochemistry

    Volume 269, Issue 8, April 2002, Pages: 2117–2123, Markus Krüer, Michael Haumann, Wolfram Meyer-Klaucke, Rudolf K. Thauer and Holger Dau

    Article first published online : 26 MAR 2002, DOI: 10.1046/j.1432-1033.2002.02860.x

  19. XFIT– an Interactive EXAFSAnalysis Program

    Journal of Synchrotron Radiation

    Volume 2, Issue 4, July 1995, Pages: 190–195, P. J. Ellis and H. C. Freeman

    DOI: 10.1107/S0909049595006789

  20. EXAFS Study of Dopant Ions with Different Charges in Nanocrystalline Anatase: Evidence for Space–Charge Segregation of Acceptor Ions


    Volume 10, Issue 8, June 2, 2009, Pages: 1238–1246, Philippe Knauth, Alan V. Chadwick, Pierre E. Lippens and Gerhard Auer

    Article first published online : 7 MAY 2009, DOI: 10.1002/cphc.200800806