Ligand K-Edge X-ray Absorption Spectroscopy as a Probe of Ligand-Metal Bonding: Charge Donation and Covalency in Copper-Chloride Systems
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September 1994 |
Ligand K-edge x-ray absorption spectroscopic studies: metal-ligand covalency in a series of transition metal tetrachlorides
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March 1995 |
A Quantitative Description of the Ground-State Wave Function of Cu A by X-ray Absorption Spectroscopy: Comparison to Plastocyanin and Relevance to Electron Transfer
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June 2001 |
Sulfur K-Edge X-ray Absorption Spectroscopy as a Probe of Ligand−Metal Bond Covalency: Metal vs Ligand Oxidation in Copper and Nickel Dithiolene Complexes
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February 2007 |
Ligand K-edge X-ray absorption spectroscopy: covalency of ligand–metal bonds
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January 2005 |
Calibration of Scalar Relativistic Density Functional Theory for the Calculation of Sulfur K-Edge X-ray Absorption Spectra
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February 2010 |
Solution NMR Structure of a Designed Metalloprotein and Complementary Molecular Dynamics Refinement
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February 2008 |
Redox Non-Innocent Ligands: Versatile New Tools to Control Catalytic Reactions
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January 2012 |
Bimetallic Complexes Supported by a Redox-Active Ligand with Fused Pincer-Type Coordination Sites
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August 2015 |
Abnormal NHC Palladium Complexes: Synthesis, Structure, and Reactivity
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September 2011 |
Progression of Diiminopyridines: From Single Application to Catalytic Versatility
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July 2015 |
O 2 Activation and Catalytic Alcohol Oxidation by Re Complexes with Redox-Active Ligands: A DFT Study of Mechanism
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July 2015 |
Noninnocence in Metal Complexes: A Dithiolene Dawn
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October 2011 |
Experimental and Computational Investigation of Thiolate Alkylation in Ni II and Zn II Complexes: Role of the Metal on the Sulfur Nucleophilicity
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October 2011 |
How Innocent are Potentially Redox Non-Innocent Ligands? Electronic Structure and Metal Oxidation States in Iron-PNN Complexes as a Representative Case Study
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April 2015 |
Kβ Mainline X-ray Emission Spectroscopy as an Experimental Probe of Metal–Ligand Covalency
- Pollock, Christopher J.; Delgado-Jaime, Mario Ulises; Atanasov, Mihail
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Journal of the American Chemical Society, Vol. 136, Issue 26
https://doi.org/10.1021/ja504182n
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journal
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June 2014 |
Using solution- and solid-state S K-edge X-ray absorption spectroscopy with density functional theory to evaluate M–S bonding for MS 4 2− (M = Cr, Mo, W) dianions
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January 2014 |
Polarized-Neutron Study of the Magnetic Moment Density in Antiferromagnetic CuS
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May 1969 |
High Covalence in CuSO 4 and the Radicalization of Sulfate: An X-ray Absorption and Density Functional Study
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December 2004 |
Synthesis and x-ray crystal structure of 2,2′,2″-iminotris(acetamidoxime) copper(II) sulphate monohydrate, [CuN(CH2CNH2: NOH)3(SO4)]·H2O
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January 1994 |
Five-Coordinated High-Spin Complexes of Bivalent Cobalt, Nickel, andCopper with Tris(2-dimethylaminoethyl)amine
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January 1966 |
1:1 Metal Complexes of Bivalent Cobalt, Nickel, Copper, Zink, and Cadmium with the Tripodal Ligand tris[2-(dimethylamino)ethyl]amine: Their stabilities and the X-ray crystal structure of its copper(II) complex sulfate
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May 1994 |
Vanadium complexes as models for vanadium species of marine organisms. Synthesis, X-ray structure of oxo(O,O-sulfate)(2,2′:6′,2″-terpyridine)vanadium(IV) hydrate, and density functional geometry optimization analysis of vanadyl complexes
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January 2000 |
Mössbauer and thermogravimetric analysis of the oxidation pathway in the thermal decomposition of FeSO4·7H2O
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May 1975 |
A novel thermogravimetric analyser
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April 1994 |
Thermogravimetric analysis of hexa- and heptahydrate crystals and packed powder of nickel sulfate
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September 1979 |
Thermogravimetric analysis of cobalt sulfate
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November 1980 |
The dehydration of ZnSO4·7H2O and NiSO4·6H2O
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May 1975 |
Study of The Mechanism and Kinetic Parameters of The Thermal Decomposition of Cobalt Sulphate Hexahydrate
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January 2000 |
[16] SHELXL: High-resolution refinement
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January 1997 |
Sulfur K-edge X-ray absorption studies using the 54-pole wiggler at SSRL in undulator mode
- Hedman, Britt; Frank, Patrick; Penner-Hahn, James E.
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Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 246, Issue 1-3
https://doi.org/10.1016/0168-9002(86)90196-8
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May 1986 |
Sulfur K-Edge X-ray Absorption Spectroscopy of 2Fe−2S Ferredoxin: Covalency of the Oxidized and Reduced 2Fe Forms and Comparison to Model Complexes
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June 2001 |
Geometrical fitting of experimental XANES spectra by a full multiple-scattering procedure
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June 2001 |
Natural widths of atomic K and L levels, K α X‐ray lines and several K L L Auger lines
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April 1979 |
Transferability of natural bond orbitals
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January 1988 |
Natural hybrid orbitals
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September 1980 |
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
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September 1988 |
Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold
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March 1998 |
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
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September 1992 |
Electronic structure of [Ni(II)S4] complexes from S K-edge X-ray absorption spectroscopy
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January 2013 |
Electronic structure and its relation to function in copper proteins
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April 2002 |
Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
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April 1994 |
Iron–sulfur bond covalency from electronic structure calculations for classical iron–sulfur clusters
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January 2014 |
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
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October 1955 |
A quantum theory of molecular structure and its applications
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July 1991 |
Higher Derivative Analysis of Complex Absorption Spectra
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December 1970 |
Resolution of overlapping UV–Vis absorption bands and quantitative analysis
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January 2000 |
X-ray absorption spectroscopic studies of the blue copper site: metal and ligand K-edge studies to probe the origin of the EPR hyperfine splitting in plastocyanin
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January 1993 |
Spectroscopic and DFT Investigation of [M{HB(3,5- i Pr 2 pz) 3 }(SC 6 F 5 )] (M = Mn, Fe, Co, Ni, Cu, and Zn) Model Complexes: Periodic Trends in Metal−Thiolate Bonding
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July 2005 |
Ligand K-edge X-ray absorption spectroscopic studies: metal-ligand covalency in transition metal tetrathiolates
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October 1997 |
Absolute electronegativity and hardness: application to inorganic chemistry
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February 1988 |
Looking for jarosite on Mars: The low-temperature crystal structure of jarosite
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November 2013 |
Preparation and Structures of K 3 [V III (ox) 2 ( μ -SO 4 )] and K 5 [V III (ox) 2 (SO 4 ) 2 ]
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September 1993 |
Investigation of the Electronic Structure of 2Fe−2S Model Complexes and the Rieske Protein Using Ligand K-Edge X-ray Absorption Spectroscopy
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March 1999 |
Covalent Bonding: The Role of Exchange Effects
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March 2014 |
A predictive theoretical model for electron tunneling pathways in proteins
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January 1990 |
Long-Range Electron Tunneling
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February 2014 |
Direct evaluation of electronic coupling mediated by hydrogen bonds: implications for biological electron transfer
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September 1995 |
DFT-based Green's function pathways model for prediction of bridge-mediated electronic coupling
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January 2015 |
Electron tunneling in azurin: the coupling across a β-sheet
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July 1995 |
Electron tunneling through covalent and noncovalent pathways in proteins
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April 1987 |
Electron tunneling pathways in ruthenated proteins
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October 1990 |
Electron transfer in ruthenium-modified proteins
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May 1992 |
Electron Flow through Metalloproteins
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November 2013 |
Bonded-atom fragments for describing molecular charge densities
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January 1977 |
Metalloprotein and redox protein design
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August 2001 |