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There are 15025 results for: content related to: Density functional studies of the structural variety of the Cu 2 S 2 core of the Cu A site

  1. Electronic structures of the Cu2S2 core of the CuA site in cytochrome c oxidase and nitrous oxide reductase

    International Journal of Quantum Chemistry

    Volume 112, Issue 1, January 2012, Pages: 208–218, Yu Takano, Yasuteru Shigeta, Kenichi Koizumi and Haruki Nakamura

    Article first published online : 26 SEP 2011, DOI: 10.1002/qua.23191

  2. A corrosion study of nickel–copper and nickel–copper–palladium welding filler metals

    Materials and Corrosion

    Volume 61, Issue 11, November 2010, Pages: 909–919, D. Liang, J. W. Sowards, G. S. Frankel, B. T. Alexandrov and J. C. Lippold

    Article first published online : 12 NOV 2010, DOI: 10.1002/maco.200905583

  3. Pt[BOND]Cu and Pt[BOND]Pd[BOND]Cu Concave Nanocubes with High-Index Facets and Superior Electrocatalytic Activity

    Chemistry - A European Journal

    Volume 18, Issue 3, January 16, 2012, Pages: 777–782, An-Xiang Yin, Xiao-Quan Min, Wei Zhu, Wen-Chi Liu, Prof. Dr. Ya-Wen Zhang and Prof. Dr. Chun-Hua Yan

    Article first published online : 13 DEC 2011, DOI: 10.1002/chem.201102632

  4. The Nature of Bond Critical Points in Dinuclear Copper(I) Complexes

    Chemistry - A European Journal

    Volume 18, Issue 10, March 5, 2012, Pages: 3032–3042, Shrabani Dinda and Prof. Ashoka G. Samuelson

    Article first published online : 30 JAN 2012, DOI: 10.1002/chem.201101219

  5. Cu[BOND]Cu2O[BOND]TiO2 Nanojunction Systems with an Unusual Electron–Hole Transportation Pathway and Enhanced Photocatalytic Properties

    Chemistry – An Asian Journal

    Volume 8, Issue 6, June 2013, Pages: 1265–1270, Jun Xing, Zu Peng Chen, Fang Yuan Xiao, Xue Yan Ma, Ci Zhang Wen, Dr. Zhen Li and Prof. Hua Gui Yang

    Article first published online : 12 MAR 2013, DOI: 10.1002/asia.201300019

  6. The structure and chemical bonding in the N2[BOND]CuX and N2···XCu (X = F, Cl, Br) systems studied by means of the molecular orbital and Quantum Chemical Topology methods

    Journal of Computational Chemistry

    Volume 29, Issue 16, December 2008, Pages: 2677–2692, Karolina Kisowska, Slawomir Berski and Zdzislaw Latajka

    Article first published online : 16 MAY 2008, DOI: 10.1002/jcc.21010

  7. Underpotential Deposition-Induced Synthesis of Composition-Tunable Pt[BOND]Cu Nanocrystals and Their Catalytic Properties

    Chemistry - A European Journal

    Volume 19, Issue 9, February 25, 2013, Pages: 3119–3124, Dr. Yaqi Jiang, Yanyan Jia, Jiawei Zhang, Lei Zhang, Huang Huang, Prof. Dr. Zhaoxiong Xie and Prof. Dr. Lansun Zheng

    Article first published online : 16 JAN 2013, DOI: 10.1002/chem.201203729

  8. Electronic, bonding, and optical properties of 1d [CuCN]n (n = 1–10) chains, 2d [CuCN]n (n = 2–10) nanorings, and 3d [Cun(CN)n]m (n = 4, m = 2, 3; n = 10, m = 2) tubes studied by DFT/TD-DFT methods

    Journal of Computational Chemistry

    Volume 36, Issue 17, June 30, 2015, Pages: 1334–1347, Athanassios C. Tsipis and Alexandros V. Stalikas

    Article first published online : 23 APR 2015, DOI: 10.1002/jcc.23932

  9. Evidence for Alkene cis-Aminocupration, an Aminooxygenation Case Study: Kinetics, EPR Spectroscopy, and DFT Calculations

    Chemistry - A European Journal

    Volume 18, Issue 6, February 6, 2012, Pages: 1711–1726, Monissa C. Paderes, Lee Belding, Branden Fanovic, Prof. Travis Dudding, Prof. Jerome B. Keister and Prof. Sherry R. Chemler

    Article first published online : 11 JAN 2012, DOI: 10.1002/chem.201101703

  10. 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

  11. Dealloyed Pt bimetallic electrocatalysts for oxygen reduction

    Standard Article

    Handbook of Fuel Cells

    P. Strasser

    Published Online : 15 DEC 2010, DOI: 10.1002/9780470974001.f500003

  12. Theoretical studies on structures and reactivities of organocuprate(I) and organocopper(III) species

    Journal of Computational Chemistry

    Volume 24, Issue 12, September 2003, Pages: 1401–1409, Masahiro Yamanaka, Akiko Inagaki and Eiichi Nakamura

    Article first published online : 8 JUL 2003, DOI: 10.1002/jcc.10132

  13. Structure Determination of Homoleptic AuI, AgI, and CuI Aryl/Alkylethynyl Coordination Polymers by X-ray Powder Diffraction

    Chemistry - A European Journal

    Volume 11, Issue 6, March 4, 2005, Pages: 1739–1749, Stephen S. Y. Chui, Miro F. Y. Ng and Chi-Ming Che

    Article first published online : 24 JAN 2005, DOI: 10.1002/chem.200400881

  14. Synthesis and Crystal Structures of Coordination Complexes Containing Cu2I2 Units and Their Application in Luminescence and Catalysis


    Volume 78, Issue 12, December 2013, Pages: 1491–1502, Huaixia Zhao, Dr. Xinxiong Li, Dr. Jinyun Wang, Dr. Liuyi Li and Prof. Ruihu Wang

    Article first published online : 4 SEP 2013, DOI: 10.1002/cplu.201300249

  15. Copper Complexes of Mono- and Ditopic [(Methylthio)methyl]borates: Missing Links and Linked Systems En Route to Copper Enzyme Models

    Chemistry - A European Journal

    Volume 14, Issue 22, July 28, 2008, Pages: 6754–6770, Kai Ruth, Sandor Tüllmann, Hannes Vitze, Michael Bolte, Hans-Wolfram Lerner, Max C. Holthausen and Matthias Wagner

    Article first published online : 20 JUN 2008, DOI: 10.1002/chem.200800588

  16. Density functional study of structural, electronic, and optical properties of small bimetallic ruthenium-copper clusters

    Journal of Computational Chemistry

    Volume 32, Issue 7, May 2011, Pages: 1241–1261, Efstathios E. Karagiannis, Christos E. Kefalidis, Ioanna Petrakopoulou and Constantinos A. Tsipis

    Article first published online : 29 NOV 2010, DOI: 10.1002/jcc.21705

  17. Electronic properties of small bimetallic LinCum (n, m ≤ 4) clusters. A comparison with Lin and Cun clusters

    International Journal of Quantum Chemistry

    Volume 102, Issue 5, 2005, Pages: 498–505, Patricio Fuentealba and Luis Padilla-Campos

    Article first published online : 7 JAN 2005, DOI: 10.1002/qua.20459

  18. Nitrous Oxide Reductase

    Standard Article

    Handbook of Metalloproteins

    Robert R Eady, Svetlana V Antonyuk and S Samar Hasnain

    Published Online : 15 SEP 2007, DOI: 10.1002/0470028637.met205

  19. Aggregation and Contingent Metal/Surface Reactivity of 1,3,8,10-Tetraazaperopyrene (TAPP) on Cu(111)

    Chemistry - A European Journal

    Volume 16, Issue 7, February 15, 2010, Pages: 2079–2091, Manfred Matena, Meike Stöhr, Till Riehm, Jonas Björk, Susanne Martens, Matthew S. Dyer, Mats Persson, Jorge Lobo-Checa, Kathrin Müller, Mihaela Enache, Hubert Wadepohl, Jörg Zegenhagen, Thomas A. Jung and Lutz H. Gade

    Article first published online : 14 JAN 2010, DOI: 10.1002/chem.200902596

  20. Effect of age-forming on corrosion properties of an Al[BOND]Zn[BOND]Mg[BOND]Cu alloy

    Materials and Corrosion

    Volume 65, Issue 7, July 2014, Pages: 670–677, J. F. Chen, G. S. Frankel, J. T. Jiang, W. Z. Shao and L. Zhen

    Article first published online : 11 MAR 2013, DOI: 10.1002/maco.201206951