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There are 53832 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

    Version of Record 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

    Version of Record 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

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

  4. 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

  5. A combined fit of total scattering and extended X-ray absorption fine structure data for local-structure determination in crystalline materials

    Journal of Applied Crystallography

    Volume 42, Issue 5, October 2009, Pages: 867–877, V. Krayzman, I. Levin, J. C. Woicik, Th. Proffen, T. A. Vanderah and M. G. Tucker

    DOI: 10.1107/S0021889809023541

  6. 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

  7. 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

  8. 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

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

  9. 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

    Version of Record online : 21 FEB 2006, DOI: 10.1002/chem.19960020606

  10. 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

  11. 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

    Version of Record online : 22 DEC 2003, DOI: 10.1002/anie.199400451

  12. 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

    Version of Record online : 1 FEB 2008, DOI: 10.1002/chem.200701282

  13. X-Ray Absorption Spectroscopy: A New Structural Method and Its Applications to Bioinorganic Chemistry

    Progress in Inorganic Chemistry, Volume 25

    Stephen P. Cramer, Keith O. Hodgson, Pages: 1–39, 2007

    Published Online : 9 MAR 2007, DOI: 10.1002/9780470166260.ch1

  14. 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

  15. 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

    Version of Record online : 13 APR 2012, DOI: 10.1002/qua.24117

  16. Local structural phase determination of Ni silicide thin films using EXAFS

    physica status solidi (c)

    Volume 9, Issue 10-11, October 2012, Pages: 2184–2188, M. A. Sahiner, P. Y. Hung, W.-Y. Loh, P. S. Lysaght, J. C. Woicik and D. Guerrero

    Version of Record online : 27 AUG 2012, DOI: 10.1002/pssc.201200250

  17. Diffraction and EXAFS

    Spectroscopy in Catalysis: An Introduction, Second Edition

    J. W. Niemantsverdriet, Pages: 137–166, 2007

    Published Online : 21 DEC 2007, DOI: 10.1002/9783527614127.ch6

  18. Linear Dichroism in the XANES of Partially Oriented Samples: Theory and Application to the Photosynthetic Manganese Complex

    ChemPhysChem

    Volume 11, Issue 6, April 26, 2010, Pages: 1236–1247, Peter Liebisch and Holger Dau

    Version of Record online : 9 APR 2010, DOI: 10.1002/cphc.200900954

  19. 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

    Version of Record online : 15 NOV 2010, DOI: 10.1002/adfm.201000095

  20. Analysis of K-absorption extended X-ray absorption fine structure data of some transition metals

    X-Ray Spectrometry

    Volume 41, Issue 4, July/August 2012, Pages: 219–224, A. Mishra, N. Parsai and B. D. Shrivastava

    Version of Record online : 19 MAR 2012, DOI: 10.1002/xrs.2370