Copper coordination in blue proteins
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journal
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October 2000 |
On the role of strain in blue copper proteins
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journal
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October 2000 |
An EXAFS Spectroscopic, Large-Angle X-Ray Scattering, and Crystallographic Study of Hexahydrated, Dimethyl Sulfoxide and Pyridine 1-Oxide Hexasolvated Mercury(II) Ions
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journal
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July 2008 |
Evidence of distorted fivefold coordination of the aqua ion from an x-ray-absorption spectroscopy quantitative analysis
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journal
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May 2002 |
Fivefold Coordination of a CuII-Aqua Ion: A Supramolecular Sandwich Consisting of Two Crown Ether Molecules and a Trigonal-Bipyramidal [Cu(H2O)5]2+ Complex
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journal
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January 2006 |
The Linear Electric Field Effect in Stellacyanin, Azurin and in Some Simple Model Compounds
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journal
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March 1978 |
[Cu·(H 2 O) n ] 2+ Clusters: The First Evidence of Aqueous Cu(II) in the Gas Phase
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journal
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October 1997 |
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
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journal
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September 1976 |
Cu + in Liquid Ammonia and in Water: Intermolecular Potential Function and Monte Carlo Simulation
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journal
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December 1999 |
The XAS model of dissolved Cu(II) and its significance to biological electron transfer
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journal
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November 2009 |
A high-resolution XAS study of aqueous Cu(II) in liquid and frozen solutions: Pyramidal, polymorphic, and non-centrosymmetric
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journal
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February 2015 |
The MXAN procedure: a new method of modeling the XANES spectra to obtain structural quantitative information
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conference
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January 2003 |
Solvation of Cu 2+ in Water and Ammonia. Insight from Static and Dynamical Density Functional Theory
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journal
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December 1999 |
Magnetic Resonance Studies on Copper(II) Complex Ions in Solution. I. Temperature Dependences of the 17 O NMR and Copper(II) EPR Linewidths of Cu(H 2 O) 6 2+
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journal
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March 1966 |
The Solvation of Cu 2+ with Gas-Phase Clusters of Water and Ammonia
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journal
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June 2007 |
Vibrational thermodynamics of materials
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journal
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May 2010 |
The Cupric Geometry of Blue Copper Proteins is not Strained
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journal
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August 1996 |
On Cu(II) complex formation with saccharose and glycerol in alkaline solutions
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journal
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December 1995 |
Hydration of Copper(II): New Insights from Density Functional Theory and the COSMO Solvation Model
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journal
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September 2008 |
Non-empirical versus empirical choices for overlapping-sphere radii ratios in SCF-Xα-SW calculations on ClO 4 - and SO 2
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journal
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April 1976 |
Thermodynamic equilibrium between blue and green copper sites and the role of the protein in controlling function
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journal
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March 2009 |
The coordination of Cu(II) in a concentrated copper nitrate solution
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journal
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August 1989 |
The quantitative Jahn-teller distortion of the Cu2+ site in aqueous solution by xanes spectroscopy
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journal
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April 1989 |
17 O nuclear magnetic resonance in aqueous solutions of Cu 2+ : The combined effect of Jahn–Teller inversion and solvent exchange on relaxation rates
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journal
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December 1991 |
Hydronium pentaaquacopper(II) triperchlorate
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journal
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June 2003 |
Copper(I) and Copper(II) Coordination Structure under Hydrothermal Conditions at 325 °C: An X-ray Absorption Fine Structure and Molecular Dynamics Study
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journal
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December 2000 |
F-test in EXAFS fitting of structural models
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journal
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May 1999 |
Is it always correct to use the Marcus cross relation for calculations of electron self-exchange rates?
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journal
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March 2010 |
MXAN: New improvements for potential and structural refinement
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journal
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November 2009 |
X-Ray Diffraction Studies of the Structures of Hydrated Divalent Transition-Metal Ions in Aqueous Solution
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journal
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March 1976 |
Hydrophobic Effect, Water Structure, and Heat Capacity Changes
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journal
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May 1997 |
The Jahn-Teller effect in solutions of flexible molecules: a neutron diffraction study on the structure of a Cu 2+ solution in ethylene glycol
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journal
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August 1995 |
Ligand Field Stabilization and Activation Energies Revisited: Molecular Modeling of the Thermodynamic and Kinetic Properties of Divalent, First-Row Aqua Complexes
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journal
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August 2008 |
The structure of Cu 2+ aqueous solutions
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journal
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March 1988 |
First Solvation Shell of the Cu(II) Aqua Ion: Evidence for Fivefold Coordination
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journal
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February 2001 |
Structural study of copper(II) sulfate solution in highly concentrated aqueous ammonia by x-ray absorption spectra
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journal
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December 1984 |
The influence of ring size upon the stability of metal chelates
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journal
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January 1954 |
Statistical evaluations in the fitting problems
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journal
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September 2001 |
Two new barium-copper-ethylene glycol complexes: synthesis and structure of BaCu(C2H6O2)n(C2H4O2)2 (n = 3, 6)
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journal
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May 1992 |
Hydrophobic−Hydrophilic Solvation of Variously Substituted N -Alkylureas in Aqueous Solution: A Calorimetric Study at a Temperature of 298.15 K †
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journal
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September 2009 |
The hydration of Cu2+: Can the Jahn-Teller effect be detected in liquid solution?
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journal
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February 2006 |
A first-principle calculation of the XANES spectrum of Cu 2+ in water
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journal
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September 2015 |
A Full Multiple Scattering Model for the Analysis of Time-Resolved X-ray Difference Absorption Spectra
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journal
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July 2006 |
The relationship between liquid, supercooled and glassy water
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journal
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November 1998 |
An X-Ray Diffraction Study of the Structure of Hydrated Copper(II) Ion in a Copper(II) Perchlorate Solution
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journal
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September 1974 |
The Solution Structure of [Cu(aq)] 2+ and Its Implications for Rack-Induced Bonding in Blue Copper Protein Active Sites
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journal
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March 2005 |
Concentration dependence of EXAFS and XANES of copper(II) perchlorate aqueous solution: comparison of solute structure in liquid and glassy states
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journal
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October 1988 |
Rack-induced metal binding vs. flexibility: Met121His azurin crystal structures at different pH
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journal
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March 1998 |
Diffraction and the study of aqua ions
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journal
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November 1987 |
Redox-Induced Structural Dynamics of Fe-Heme Ligand in Myoglobin by X-Ray Absorption Spectroscopy
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journal
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July 2003 |
Distorted five-fold coordination of Cu2+(aq) from a Car–Parrinello molecular dynamics simulation
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journal
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January 2005 |
Rack-induced bonding in blue-copper proteins
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journal
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August 1994 |
Solute Structure of Copper(Ii)Acetate Solutions in Liquid and Glassy States
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journal
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December 1986 |
Deviations from centrosymmetry in some simple Cu2+ complexes
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journal
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January 1976 |
Factors affecting stabilities of chelate, macrocyclic and macrobicyclic complexes in solution
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journal
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July 1994 |
The X-ray Absorption Spectroscopic Model of the Copper(II) Imidazole Complex Ion in Liquid Aqueous Solution: A Strongly Solvated Square Pyramid
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journal
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January 2012 |
Metalloenzymes: the entatic nature of their active sites.
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journal
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February 1968 |
Structural parameters of Cu2+ aqua complexes in aqueous solutions of its salts
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journal
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August 2009 |
The structure and spectra of nickel(II) and copper(II) complexes
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journal
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April 1961 |
Copper L-edge spectral studies: a direct experimental probe of the ground-state covalency in the blue copper site in plastocyanin
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journal
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April 1993 |
The stereochemistry of the copper(II) ion in the solid-state—some recent perspectives linking the Jahn–Teller effect, vibronic coupling, structure correlation analysis, structural pathways and comparative X-ray crystallography
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journal
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August 2003 |
Conformational studies of metal chelates. I. Intra-ring strain in five- and six-membered chelate rings
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journal
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July 1973 |
Theoretical model of copper Cu(I)/Cu(II) hydration. DFT and ab initio quantum chemical study
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journal
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September 2004 |
Cu aq + /Cu aq 2+ Redox Reaction Exhibits Strong Nonlinear Solvent Response Due to Change in Coordination Number
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journal
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November 2008 |
Application of the EXAFS method to Jahn—Teller ions: static and dynamic behavior of Cu(H2O)62+ and Ci(H2O)2+6 in aqueous solution
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journal
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October 1981 |
Direct Deconvolution of Two-State Pump-Probe X-ray Absorption Spectra and the Structural Changes in a 100 ps Transient of Ni(II)-tetramesitylporphyrin
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journal
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May 2009 |
Solution [Cu(amm)] 2+ is a Strongly Solvated Square Pyramid: A Full Account of the Copper K-edge XAS Spectrum Within Single-Electron Theory
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journal
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May 2008 |
The electronic properties and stereochemistry of mono-nuclear complexes of the copper(II) ion
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journal
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July 1970 |
Unraveling the Coordination Geometry of Copper(II) Ions in Aqueous Solution through Absorption Intensity
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journal
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August 2012 |
Extended ab initio quantum mechanical/molecular mechanical molecular dynamics simulations of hydrated Cu2+
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journal
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November 2003 |
Recent advances in understanding blue copper proteins
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journal
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April 2011 |
Quantitative Analysis of X-Ray Absorption Near Edge Structure Data by a Full Multiple Scattering Procedure: The Fe-CO Geometry in Photolyzed Carbonmonoxy-Myoglobin Single Crystal
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journal
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September 2001 |
Use of general potentials in multiple-scattering theory
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journal
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December 1986 |
X-ray absorption study on the solvated copper(II) ion: transition from a solvated solid to the dissolved state
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journal
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April 1993 |
Activating Metal Sites for Biological Electron Transfer
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journal
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August 2016 |
Cu K-edge XANES of Cu(II) ions in aqueous solution: A measure of the axial ligand distances
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journal
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August 1988 |
Equilibrium between 5- and 6-Fold Coordination in the First Hydration Shell of Cu(II)
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journal
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May 2016 |
Solvation Structure of Zn 2+ and Cu 2+ Ions in Acetonitrile: A Combined EXAFS and XANES Study
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journal
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February 2015 |
Energised (entatic) States of Groups and of Secondary Structures in Proteins and Metalloproteins
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journal
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December 1995 |
Hydration mechanisms of Cu2+: tetra-, penta- or hexa-coordinated?
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journal
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January 2010 |
A theoretical study of the copper-cysteine bond in blue copper proteins
- Ryde, Ulf; Olsson, Mats H. M.; Roos, Bj�rn O.
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Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 105, Issue 6
https://doi.org/10.1007/s002140000242
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May 2001 |
NMR‐Relaxation Mechanisms of O 17 in Aqueous Solutions of Paramagnetic Cations and the Lifetime of Water Molecules in the First Coordination Sphere
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journal
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July 1962 |
Kinetics of inner-sphere solvent exchange on the aquocopper(II) ion: indirect determination from kinetics of copper(II) reacting with ammonia in aqueous solution
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journal
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May 1980 |
The coordination chemistry of the copper(II), zinc(II) and cadmium(II) ions in liquid and aqueous ammonia solution, and the crystal structures of hexaamminecopper(II) perchlorate and chloride, and hexaamminecadmium(II)chloride
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journal
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March 2007 |
New Insights into the Jahn-Teller Effect through ab initio Quantum-Mechanical/Molecular-Mechanical Molecular Dynamics Simulations of CuII in Water
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September 2003 |
Dynamics of ligand exchange mechanism at Cu(II) in water: An ab initio quantum mechanical charge field molecular dynamics study with extended quantum mechanical region
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journal
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July 2013 |
X-Ray Absorption Spectroscopy of Amorphous Solids, Liquids, and Catalytic and Biochemical Systems?Capabilities and Limitations
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journal
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January 1994 |
Supercooled liquids and the glass transition
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March 2001 |
Structure of Jahn–Teller distorted solvated copper(ii) ions in solution, and in solids with apparently regular octahedral coordination geometry
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journal
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January 2002 |
Metal−Ligand Bond Distances in First-Row Transition Metal Coordination Compounds: Coordination Number, Oxidation State, and Specific Ligand Effects
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journal
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October 1998 |
X-ray Absorption Study of the Solvation Structure of Cu 2+ in Methanol and Dimethyl Sulfoxide
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journal
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August 2012 |
X-ray absorption spectroscopy of metal-histidine coordination in metalloproteins. Exact simulation of the EXAFS of tetrabis(imidazole)copper(II) nitrate and other copper-imidazole complexes by the use of a multiple-scattering treatment
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November 1987 |
Inorganic and Bioinorganic Solvent Exchange Mechanisms
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June 2005 |
929. The effects of crystal fields on the properties of transition-metal ions
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January 1952 |
The hydration structure of Cu2+: more tetrahedral than octahedral?
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January 2013 |
An understanding of the x-ray absorption near-edge structure of copper(II) imidazole complexes
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May 1990 |
Dynamic Jahn–Teller Effects and Magnetic Anisotropies in Aqueous Solutions and Water–Ethanol Glasses of Copper(II) Solvates and Complexes with 2,2′‐Dipyridine
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February 1971 |
Multiple-scattering regime and higher-order correlations in x-ray-absorption spectra of liquid solutions
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October 1986 |
X-ray absorption spectroscopy: state-of-the-art analysis
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journal
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December 2002 |
Unraveling the Coordination Geometry of Copper(II) Ions in Aqueous Solution through Absorption Intensity
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August 2012 |
Inorganic and Bioinorganic Solvent Exchange Mechanisms
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journal
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September 2005 |
Fivefold Coordination of a CuII—Aqua Ion: A Supramolecular Sandwich Consisting of Two Crown Ether Molecules and a Trigonal-Bipyramidal [Cu(H2O)5]2+ Complex.
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journal
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March 2006 |
The Solution Structure of [Cu(aq)] 2+ and Its Implications for Rack-Induced Bonding in Blue Copper Protein Active Sites
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journal
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August 2007 |
Use of General Potentials in Multiple-Scattering Theory
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text
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January 1985 |
Fivefold Coordination of a CuII-Aqua Ion: A Supramolecular Sandwich Consisting of Two Crown Ether Molecules and a Trigonal-Bipyramidal [Cu(H2O)5]2+ Complex
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journal
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January 2006 |