@article {2307, title = {Cyanobacterial copper-binding ligands isolated from artificial seawater cultures}, journal = {Marine Chemistry}, volume = {110}, number = {1-2}, year = {2008}, note = {ISI Document Delivery No.: 313BETimes Cited: 4Cited Reference Count: 34Wiramanaden, Cheryl I. E. Cullen, Jay T. Ross, Andrew R. S. Orians, Kristin J.}, month = {May}, pages = {28-41}, type = {Article}, abstract = {This paper demonstrates a method to isolate and characterise strong biogenic copper-binding ligands from an artificial seawater matrix. Pseudo-polarography is used to detect the ligands, determine their ionic strength-corrected binding constants, and track them through each step of the extraction process. Two ligand types are found, one strong and one relatively weak, with log K{\textquoteright} values of 49.4 +/- 1.1 and 19.8 +/- 5.5 respectively, assuming that the metal is bound as copper(II). If a copper(I) complex, the log K{\textquoteright} of the strong copper-binding ligand would be 25. Pseudo-polarography is then used to assess different resins for ligand extraction and to determine the eluent fraction in which the strong ligand is recovered. XAD-16 is found to be a suitable resin for extracting the strong binding ligand from salt water into methanol, suggesting that the ligand is weakly hydrophobic. As ligands are identified by their complexation of copper, no assumptions are made regarding the functional groups of these natural ligands. The copper-binding ligands are successfully extracted into solvents suitable for mass spectrometric analysis using soft ionisation methods such as electrospray and MALDI. (C) 2008 Elsevier B.V. All rights reserved.}, keywords = {AFFINITY-CHROMATOGRAPHY, chemical speciation, COMPETITION TECHNIQUE, COMPLEXING LIGANDS, copper, CU STRESS, EMILIANIA-HUXLEYI, IONIZATION MASS-SPECTROMETRY, LIGANDS, mass, NORTH PACIFIC, ORGANIC-COMPLEXES, polarography, SARGASSO SEA, sea water, SPECTROMETRY, TRACE-METALS}, isbn = {0304-4203}, url = {://000256715300004}, author = {Wiramanaden, C. I. E. and Cullen, J. T. and Ross, A. R. S. and Orians, K. J.} } @article {1011, title = {Comparison of anti-hyperglycemic effect amongst vanadium, molybdenum and other metal maltol complexes}, journal = {Journal of Inorganic Biochemistry}, volume = {98}, number = {5}, year = {2004}, note = {ISI Document Delivery No.: 824HVTimes Cited: 37Cited Reference Count: 7411th International Conference on Biological Inorganic ChemistryJUL 19-23, 2003Cairns, AUSTRALIA}, month = {May}, pages = {683-690}, type = {Proceedings Paper}, abstract = {A wide variety of vanadium-containing complexes have been tested, both in vivo and in vitro, as possible therapeutic agents for the oral treatment of type 2 diabetes mellitus. None so far has surpassed bis(maltolato)oxovanadium(IV) (BMOV) for glucose- and lipid-lowering in an orally available formulation. Ligand choice is clearly an important factor in pharmacological efficacy of vanadium compounds as insulin enhancing agents. In this study, we kept the ligand and dose the same, varying instead the metal ion bound to the maltolato ligand in a series of binary complexes of neutral charge. A requirement for vanadyl ion as the metal ion of choice was apparent; no other metal ion tested served as a suitable substitute. Amongst [MoO2](2+), Co(II), Cu(II), Cr(III), and Zn(II), only [MoO2](2+) and Co(II) showed any hypoglycemic activity at the ED50 dose for bis(maltolato)oxovanadium(IV), 0.6 mmol kg(-1) by oral gavage in streptozotocin (STZ)-diabetic rats within 72 It of administration of compound. (C) 2004 Elsevier Inc. All rights reserved.}, keywords = {ABSORPTION, CHROMIUM, cobalt, COORDINATION MODE, copper, DEPENDENT DIABETES-MELLITUS, GLUCOSE-METABOLISM, IN-VIVO, INSULIN, LIPID-METABOLISM, MOLYBDENUM, RATS, VANADIUM, zinc, ZINC SUPPLEMENTATION}, isbn = {0162-0134}, url = {://000221678300004}, author = {Thompson, K. H. and Chiles, J. and Yuen, V. G. and Tse, J. and McNeill, J. H. and Orvig, Chris} } @article {Funk2004, title = {X-ray magnetic circular dichroism of Pseudomonas aeruginosa nickel(II) azurin.}, journal = {J. Am. Chem. Soc.}, volume = {126}, number = {18}, year = {2004}, pages = {5859{\textendash}66}, abstract = {We show that X-ray magnetic circular dichroism (XMCD) can be employed to probe the oxidation states and other electronic structural features of nickel active sites in proteins. As a calibration standard, we have measured XMCD and X-ray absorption (XAS) spectra for the nickel(II) derivative of Pseudomonas aeruginosa azurin (NiAz). Our analysis of these spectra confirms that the electronic ground state of NiAz is high-spin (S = 1); we also find that the L(3)-centroid energy is 853.1(1) eV, the branching ratio is 0.722(4), and the magnetic moment is 1.9(4) mu(B). Density functional theory (DFT) calculations on model NiAz structures establish that orbitals 3d(x2-y2) and 3d(z2) are the two valence holes in the high-spin Ni(II) ground state, and in accord with the experimentally determined orbital magnetic moment, the DFT results also demonstrate that both holes are highly delocalized, with 3d(x2-y2) having much greater ligand character.}, keywords = {Azurin, Azurin: chemistry, circular dichroism, Circular Dichroism: methods, copper, Copper: chemistry, CRYSTALLOGRAPHY, LIGANDS, Magnetics, models, MOLECULAR, Molecular Conformation, NICKEL, Nickel: chemistry, PDF, Pseudomonas aeruginosa, Pseudomonas aeruginosa: chemistry, X-RAY, X-Rays}, issn = {0002-7863}, doi = {10.1021/ja036218d}, url = {http://www.ncbi.nlm.nih.gov/pubmed/15125678}, author = {Funk, Tobias and Kennepohl, Pierre and Di Bilio, Angel J and Wehbi, William a and Young, Anthony T and Friedrich, Stephan and Arenholz, Elke and Gray, Harry B and Cramer, Stephen P} } @article {533, title = {Structure determination of Cu(410)-O using X-ray diffraction and DFT calculations}, journal = {Surface Science}, volume = {516}, number = {1-2}, year = {2002}, note = {ISI Document Delivery No.: 594AQTimes Cited: 12Cited Reference Count: 52}, month = {Sep}, pages = {16-32}, type = {Article}, abstract = {The Cu(4 1 0)-O surface, involving a 0.5 monolayer (ML) coverage of oxygen, is known to be extremely stable and a range of Cu(1 0 0) vicinal. surfaces facet to (4 1 0) in the presence of adsorbed oxygen. A new surface X-ray diffraction investigation of this surface has been conducted to determine its structure, and the detailed structural parameter values obtained are compared with the results of a density functional theory (DFT) calculation. The results show that the metal structure is unreconstructed, with the oxygen forming an overlayer with 0.25 ML O atoms at near-colinear step-edge sites and 0.25 NIL O atoms at mid-terrace hollow sites, approximately 0.6 Angstrom above the terraces. The large number of independent structural parameters potentially relevant to this vicinal surface presents a significant challenge for unique structural optimisation, but various missing row reconstruction models can be clearly excluded. Two detailed structural solutions are identified which give equally acceptable fits to the X-ray diffraction data after imposition of a Lennard-Jones penalty factor. These models differ especially in the O positions, but one is found to be more favoured by comparison with the results of the DFT calculations, and by considerations based on bond lengths and valence. Substantial relaxations from the bulk metal positions occur for the outermost Cu atoms; the ability of the vicinal surface to relax in this way may help to account for its stability compared with the missing row reconstruction induced by oxygen chemisorption on the Cu(1 0 0) surface. (C) 2002 Elsevier Science B.V. All rights reserved.}, keywords = {ADSORPTION, and, and topography, chemisorption, copper, CU(100), DETERMINATION, DIFFRACTION, ENERGY ION-SCATTERING, INITIO MOLECULAR-DYNAMICS, MISSING-ROW, MORPHOLOGY, OXYGEN, OXYGEN-INDUCED RECONSTRUCTION, RECONSTRUCTION, reflection, relaxation and reconstruction, roughness, SCANNING-TUNNELING-MICROSCOPY, SURFACE, surface structure, SURFACE-STRUCTURE, SURFACES, VICINAL COPPER SURFACES, vicinal single crystal, WAVE BASIS-SET, X-ray scattering}, isbn = {0039-6028}, url = {://000178027000003}, author = {Vlieg, E. and Driver, S. M. and Goedtkindt, P. and Knight, P. J. and Liu, W. and Ludecke, J. and Mitchell, K. A. R. and Murashov, V. and Robinson, I. K. and de Vries, S. A. and Woodruff, D. P.} } @article {5031, title = {Artificial nucleases}, journal = {Chembiochem}, volume = {2}, number = {10}, year = {2001}, note = {ISI Document Delivery No.: 479NGTimes Cited: 54Cited Reference Count: 25}, month = {Oct}, pages = {735-740}, type = {Article}, abstract = {The oxidation of DNA and RNA provides a facile approach for investigating the interaction of nucleic acids wit proteins and oligonucleotides In this article, we have outlined our understanding of the mechanism of DNA scission by 1,10-phenanthroline-copper(I) in the presence of hydrogen peroxide. We also discuss results obtained by using 1,10-phenanthroline - oligonucleotide conjugates in probing the size of the transcriptionally active open complex. Finally, we outline an effective method for converting DNA-binding proteins into site-specific modification agents by using 1,10-phenanthroline-copper(I).}, keywords = {1, 10-PHENANTHROLINE-COPPER ION, chemical, COLI RNA-POLYMERASE, COMPLEX, copper, DNA, DNA cleavage, DNA recognition, ESCHERICHIA-COLI, NUCLEASE, nucleic acids, OLIGONUCLEOTIDES, PROTEIN, SITE-SPECIFIC NUCLEASE, TRANSCRIPTION INITIATION}, isbn = {1439-4227}, url = {://000171410000003}, author = {Chen, C. H. B. and Milne, L. and Landgraf, R. and Perrin,David M. and Sigman, D. S.} } @article {4921, title = {Characterization of dissolved tannins and their metal-ion complexes by electrospray ionization mass spectrometry}, journal = {Analytica Chimica Acta}, volume = {411}, number = {1-2}, year = {2000}, note = {ISI Document Delivery No.: 305EYTimes Cited: 25Cited Reference Count: 51}, month = {May}, pages = {91-102}, type = {Article}, abstract = {Electrospray mass spectrometry was used to characterize metal-complexing ligands derived from tannic acid, a component of natural dissolved organic matter. Complexes formed by tannin ligands with copper and other biogeochemically important metals were identified from the mass-to-charge ratios of the corresponding deprotonated molecular ions, allowing stoichiometry and metal oxidation state to be determined. Ligand ion intensities were proportional to tannic acid concentration, with detection limits on the order of 5 nM for individual compounds in 50:50 water/acetonitrile. The relative abundance of free ligand and complex ions indicated the degree of complexation under different solution conditions (metal concentration, pH, ionic strength). Using tandem mass spectrometry, the structure and principal copper binding site for one of the tannins were also determined, providing unique information with regard to metal complexation by these polyfunctional ligands. The technique can be combined with high performance liquid chromatography for on-line separation of dissolved organic compounds. Results demonstrate the potential of this approach for characterizing the different classes of metal-complexing ligands found in natural waters. (C) 2000 Elsevier Science B.V. All rights reserved.}, keywords = {AFFINITY-CHROMATOGRAPHY, CHROMATOGRAPHY, COMPLEXATION, copper, electrospray ionization, high performance liquid, iron, LIGANDS, MASS SPECTROMETRY, metal-ion complexes, NATURAL ORGANIC-LIGANDS, ORGANIC, PERFORMANCE, PROTEINS, REGIOSELECTIVE MONO-OXIDATION, SPECIATION, STOICHIOMETRY, tannins, TOXICITY, trace metals}, isbn = {0003-2670}, url = {://000086527500011}, author = {Ross, A. R. S. and Ikonomou, M. G. and Orians, K. J.} } @article {4641, title = {Iron(II) 2-methylimidazolate and copper(II) 1,2,4-triazolate complexes: systems exhibiting long-range ferromagnetic ordering at low temperatures}, journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie}, volume = {77}, number = {4}, year = {1999}, note = {ISI Document Delivery No.: 204JXTimes Cited: 17Cited Reference Count: 27}, month = {Apr}, pages = {425-433}, type = {Article}, abstract = {{Crystals of [Fe(2-methylimidazolate)(2). 0.13(FeCp2)](x), 1, are orthorhombic}, keywords = {1, 2, 2-methylimidazolate, 3, 4-triazolate, 5-DIMETHYLPYRAZOLATE, BR, canted spins, CH3, COMPLEXES, copper, CRYSTAL, ferromagnets, iron, LIGANDS, MAGNETIC-PROPERTIES, METAL PYRAZOLATE POLYMERS, METALLOCENES}, isbn = {0008-4042}, url = {://000080762100003}, author = {Rettig, S. J. and Storr, A. and Summers, D. A. and Thompson, R. C. and Trotter, J.} } @article {4641, title = {Iron(II) 2-methylimidazolate and copper(II) 1,2,4-triazolate complexes: systems exhibiting long-range ferromagnetic ordering at low temperatures}, journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie}, volume = {77}, number = {4}, year = {1999}, note = {ISI Document Delivery No.: 204JXTimes Cited: 17Cited Reference Count: 27}, month = {Apr}, pages = {425-433}, type = {Article}, abstract = {{Crystals of [Fe(2-methylimidazolate)(2). 0.13(FeCp2)](x), 1, are orthorhombic}, keywords = {1, 2, 2-methylimidazolate, 3, 4-triazolate, 5-DIMETHYLPYRAZOLATE, BR, canted spins, CH3, COMPLEXES, copper, CRYSTAL, ferromagnets, iron, LIGANDS, MAGNETIC-PROPERTIES, METAL PYRAZOLATE POLYMERS, METALLOCENES}, isbn = {0008-4042}, url = {://000080762100003}, author = {Rettig, S. J. and Storr, A. and Summers, D. A. and Thompson, R. C. and Trotter, J.} } @article {4641, title = {Iron(II) 2-methylimidazolate and copper(II) 1,2,4-triazolate complexes: systems exhibiting long-range ferromagnetic ordering at low temperatures}, journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie}, volume = {77}, number = {4}, year = {1999}, note = {ISI Document Delivery No.: 204JXTimes Cited: 17Cited Reference Count: 27}, month = {Apr}, pages = {425-433}, type = {Article}, abstract = {{Crystals of [Fe(2-methylimidazolate)(2). 0.13(FeCp2)](x), 1, are orthorhombic}, keywords = {1, 2, 2-methylimidazolate, 3, 4-triazolate, 5-DIMETHYLPYRAZOLATE, BR, canted spins, CH3, COMPLEXES, copper, CRYSTAL, ferromagnets, iron, LIGANDS, MAGNETIC-PROPERTIES, METAL PYRAZOLATE POLYMERS, METALLOCENES}, isbn = {0008-4042}, url = {://000080762100003}, author = {Rettig, S. J. and Storr, A. and Summers, D. A. and Thompson, R. C. and Trotter, J.} } @article {4655, title = {Tensor LEED analysis for the Cu(111)-(root x root 7)R19.1 degrees-S surface structure}, journal = {Surface Science}, volume = {441}, number = {2-3}, year = {1999}, note = {ISI Document Delivery No.: 253RWTimes Cited: 11Cited Reference Count: 36}, month = {Nov}, pages = {425-435}, type = {Article}, abstract = {A tensor LEED analysis is reported for the (root 7 x root 7)R19.1 degrees structure formed by S at the Cu(lll)surface. A new structural model is found which corresponds to a modified version of the copper sulphide overlayer model first proposed by Domange and Oudar. In that model, the topmost layer has 3/7 monolayer each of Cu and S atoms, but the modification involves one S atom per unit mesh moving down to displace a Cu atom from the second metal layer. Relaxations among the topmost Cu atoms result in one S atom being effectively three-fold coordinate while the other two are sixfold coordinate and 12-fold coordinate: the averaged S-Cu bond lengths are indicated to equal 2.19, 2.47 and 2.62 Angstrom respectively. Some discussion is included of factors that may influence this choice of surface structure. (C) 1999 Elsevier Science B.V. All rights reserved.}, keywords = {ADSORPTION, chemisorption, copper, ENERGY-ELECTRON-DIFFRACTION, LAYERS, low energy electron diffraction, LOW INDEX SINGLE CRYSTAL, METAL-SURFACES, MOLECULE, RAY STANDING-WAVE, RECONSTRUCTION, RU(0001), SUBSTRATE, SULFUR, sulphur, SURFACE, surface reconstruction}, isbn = {0039-6028}, url = {://000083570400024}, author = {Saidy, M. and Mitchell, K. A. R.} } @article {4394, title = {Determination of dissolved metal species by electrospray ionization mass spectrometry}, journal = {Analytical Chemistry}, volume = {70}, number = {11}, year = {1998}, note = {ISI Document Delivery No.: ZR483Times Cited: 49Cited Reference Count: 50}, month = {Jun}, pages = {2225-2235}, type = {Article}, abstract = {The distribution of metal species in solution was determined using now injection electrospray ionization mass spectrometry. Complexes formed by selected metal ions with added organic ligands in 50:50 water/acetonitrile and 50:50 water/methanol under acidic, neutral, and basic conditions were detected using electrospray ionization conditions optimized to best represent solution-phase interactions. Metal species containing acetate, nitrate, and solvent molecules predominated in acidic solution but became less abundant at higher pH. Interactions between metal ions and added organic ligands became more selective with increasing pH, showing the expected preference of hard and soft ligands for metal ions:of the corresponding type. Species distributions also tended toward larger complexes as pH increased. Overall ion yield was greater for aqueous acetonitrile than for aqueous methanol solutions; however, reduction of copper(II) in aqueous acetonitrile resulted in the detection of copper(I) complexes for certain ligands. Experimental results for copper(II) and 8-hydroxyquinoline in 50:50 water/methanol showed good agreement with aqueous speciation predicted using the thermodynamic equilibrium model MINEQL. Detection of neutral complexes was achieved by protonation, deprotonation, or electrochemical oxidation during electrospray.}, keywords = {COMPLEXES, copper, GAS-PHASE, LIGANDS, PHASE ION CHEMISTRY, PROTEINS, SOLVENT, SPECIATION, STOICHIOMETRY}, isbn = {0003-2700}, url = {://000073981600011}, author = {Ross, A. R. S. and Ikonomou, M. G. and Thompson, J. A. J. and Orians, K. J.} } @article {3949, title = {Synthesis and characterization of the mixed valence Cu(I)/Cu(II) 3,5-bis(trifluoromethyl)-pyrazolate complex, [Cu(II)(2)Cu(I)(F(6)dmpz)(5)]}, journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie}, volume = {75}, number = {5}, year = {1997}, note = {ISI Document Delivery No.: XF492Times Cited: 18Cited Reference Count: 17}, month = {May}, pages = {491-498}, type = {Article}, abstract = {{The reaction of molten 3,5-bis(trifluoromethyl)pyrazole (F(6)dmpzH) with copper metal shot under an atmosphere of dioxygen yields the green trimetallic mixed valence [Cu(II)(2)Cu(I)(F(6)dmpz)(5)]. Crystals of [Cu(II)(2)Cu(I)F(6)dmpz)(5)] are triclinic}, keywords = {3, 5-bis(trifluoromethyl)pyrazolates, ANTIFERROMAGNETISM, copper, COPPER(II) COMPLEX, MAGNETIC-PROPERTIES, METAL PYRAZOLATE POLYMERS, RAY CRYSTAL-STRUCTURE, STRUCTURE, trimetallic, X-RAY}, isbn = {0008-4042}, url = {://A1997XF49200003}, author = {Ehlert, M. K. and Storr, A. and Summers, D. A. and Thompson, R. C.} } @article {3949, title = {Synthesis and characterization of the mixed valence Cu(I)/Cu(II) 3,5-bis(trifluoromethyl)-pyrazolate complex, [Cu(II)(2)Cu(I)(F(6)dmpz)(5)]}, journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie}, volume = {75}, number = {5}, year = {1997}, note = {ISI Document Delivery No.: XF492Times Cited: 18Cited Reference Count: 17}, month = {May}, pages = {491-498}, type = {Article}, abstract = {{The reaction of molten 3,5-bis(trifluoromethyl)pyrazole (F(6)dmpzH) with copper metal shot under an atmosphere of dioxygen yields the green trimetallic mixed valence [Cu(II)(2)Cu(I)(F(6)dmpz)(5)]. Crystals of [Cu(II)(2)Cu(I)F(6)dmpz)(5)] are triclinic}, keywords = {3, 5-bis(trifluoromethyl)pyrazolates, ANTIFERROMAGNETISM, copper, COPPER(II) COMPLEX, MAGNETIC-PROPERTIES, METAL PYRAZOLATE POLYMERS, RAY CRYSTAL-STRUCTURE, STRUCTURE, trimetallic, X-RAY}, isbn = {0008-4042}, url = {://A1997XF49200003}, author = {Ehlert, M. K. and Storr, A. and Summers, D. A. and Thompson, R. C.} } @article {3431, title = {STRUCTURAL DETAILS FOR THE CU(110)-C(6X2)-O SURFACE DETERMINED BY TENSOR LEED}, journal = {Surface Science}, volume = {339}, number = {1-2}, year = {1995}, note = {ISI Document Delivery No.: RV213Times Cited: 18Cited Reference Count: 28}, month = {Sep}, pages = {151-158}, type = {Article}, abstract = {A tenser LEED analysis has been made for the Cu(110)-c(6 x 2)-O surface structure using intensity versus energy curves measured for 13 diffracted beams at normal incidence. A good level of correspondence between experimental and calculated intensities has been reached (R(p) = 0.271) for the model type (2/3 monolayer coverage of O) proposed for this surface by Feidenhans{\textquoteright}l et al. This analysis provides direct information on the structural details, and it is indicated that they support the view that the driving force for this structure relates to sufficient O being incorporated in order to stabilize the surface as a modified (211) plane of bulk Cu2O. This structure is composed of double-stranded chains built from 12-membered rings formed by alternating O and Cu atoms. The chains are flattened on the surface, and alternating chains are laterally displaced by half a repeat unit compared with the bulk (211) plane. However, the three-atom O-Cu-O fragments essentially maintain their bulk form in the surface structure. The average O-Cu bond length in Cu(110)-c(6 X 2)-O is indicated to equal 1.90 Angstrom, in exact agreement with the values determined for the half monolayer structures formed by O on Cu(110) and Cu(100).}, keywords = {copper, CRYSTAL SURFACES, CU, CU(110), ENERGY-ELECTRON-DIFFRACTION, LOW ENERGY ELECTION DIFFRACTION (LEED), LOW INDEX SINGLE, OXYGEN, OXYGEN-CHEMISORPTION, SURFACE RELAXATION AND RECONSTRUCTION, X-RAY-DIFFRACTION}, isbn = {0039-6028}, url = {://A1995RV21300017}, author = {Liu, W. and Wong, K. C. and Mitchell, K. A. R.} } @article {6940, title = {OXYGEN ON CU(100) SURFACE-STRUCTURE STUDIED BY SCANNING TUNNELING MICROSCOPY AND BY LOW-ENERGY-ELECTRON-DIFFRACTION MULTIPLE-SCATTERING CALCULATIONS}, journal = {Physical Review B}, volume = {42}, number = {18}, year = {1990}, note = {ISI Document Delivery No.: EP284Times Cited: 55Cited Reference Count: 19}, month = {Dec}, pages = {11926-11929}, type = {Note}, abstract = {A scanning-tunneling-microscopy study for a surface formed by the chemisorption of oxygen on Cu(100) and displaying a (2 square-root 2 X square-root 2)R 45-degrees low-energy-electron-diffraction (LEED) pattern shows the expected rotationally related domains but no unambiguous evidence for coexisting regions of c (2X2) symmetry. There is a clear pairing of atomic rows, but a low corrugation (less-than-or-similar-to 0.2 angstrom). These features are consistent with results from a new LEED multiple-scattering analysis applied to six diffracted beams for normal incidence. The missing-row model recently proposed [Zeng et al., Surf. Sci. 208, L7 (1989)] is extended to include a 0.30-angstrom lateral relaxation for top-layer copper atoms adjacent to the missing rows, and small (around 0.10-angstrom) vertical relaxations in both the first and second copper layers. These features yield the best correspondence between experimental and calculated LEED intensities yet reached for this surface structure.}, keywords = {chemisorption, copper}, isbn = {0163-1829}, url = {://A1990EP28400055}, author = {Woll, C. and Wilson, R. J. and Chiang, S. and Zeng, H. C. and Mitchell, K. A. R.} }