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The Solution Structure of [Cu(aq)]2+ and Its Implications for Rack-Induced Bonding in Blue Copper Protein Active Sites

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Protein strain in blue copper proteins studied by free energy perturbations

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How experiments see fluctuations of native proteins: Perspective from an exact model

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Structure, strain, and reorganization energy of blue copper models in the protein

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Mutant forms of staphylococcal nuclease with altered patterns of guanidine hydrochloride and urea denaturation

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Ligand Binding to Wild-type and E-B13Q Mutant Insulins: A Three-state Allosteric Model System Showing Half-site Reactivity

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The Cupric Geometry of Blue Copper Proteins is not Strained

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The structural role of the copper-coordinating and surface-exposed histidine residue in the blue copper protein azurin

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The problem of the stability of globular proteins

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The influence of polarization functions on molecular orbital hydrogenation energies

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A theoretical study of the copper-cysteine bond in blue copper proteins

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Copper coordination in blue proteins

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Probing copper ligands in denatured Pseudomonas aeruginosa azurin: unfolding His117Gly and His46Gly mutants

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Electronic structure contributions to electron transfer in blue Cu and CuA

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The effect of redox state on the folding free energy of azurin

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On the relative stability of tetragonal and trigonal Cu(II) complexes with relevance to the blue copper proteins

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Reduction potentials of blue and purple copper proteins in their unfolded states: a closer look at rack-induced coordination

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The influence of axial ligands on the reduction potential of blue copper proteins

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Deviations from centrosymmetry in some simple Cu2+ complexes

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Ab initio study of solvated molecules: a new implementation of the polarizable continuum model

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Ligand Binding to the blue copper center of horse liver alcohol dehydrogenase

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Crystal structure of Pseudomonas aeruginosa apo‐azurin at 1.85 Å resolution

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Crystal structure analyses of reduced (CuI) poplar plastocyanin at six pH values

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Basic inorganic chemistry

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Analysis of the geometry of the hydroxymethyl radical by the “different hybrids for different spins” natural bond orbital procedure

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An EPR study of the blue copper center in horse liver alcohol dehydrogenase

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A double-focusing exafs beam line, data acquisition and evaluation system for biological applications

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Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

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Oxidases and Related Redox Systems

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Electron paramagnetic resonance spectrum and covalency parameters of copper-63(KTS)

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X-ray absorption spectroscopy of folded and unfolded copper(I) azurin

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The crystal structure of poplar apoplastocyanin at 1.8-A resolution. The geometry of the copper-binding site is created by the polypeptide.

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A selenomethionine-containing azurin from an auxotroph of Pseudomonas aeruginosa.

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Active site-specific reconstituted copper(II) horse liver alcohol dehydrogenase: A biological model for type 1 Cu2+ and its changes upon ligand binding and conformational transitions

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An outer-sphere hydrogen-bond network constrains copper coordination in blue proteins

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Role of apically bound water molecule on aliphatic–aliphatic side-chain interactions in bis[N,N-dimethyl-l-α-isoleucinato]copper(II) studied by EPR spectroscopy

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Preferential Cu2+ solvation in aqueous ammonia solution of various concentrations

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A study on the enthalpy–entropy compensation in protein unfolding

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Electronic structure and its relation to function in copper proteins

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Ligand K-Edge X-ray Absorption Spectroscopy: A Direct Probe of Ligand−Metal Covalency

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Ligand Binding and Protein Dynamics in Cupredoxins

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Allosteric transition of the insulin hexamer is modulated by homotropic and heterotropic interactions

inferredcites →https://doi.org/10.1021/bi00097a005openalex-snapshot

Characterization of a folding intermediate of apoplastocyanin trapped by proline isomerization

inferredcites →https://doi.org/10.1021/bi00134a023openalex-snapshot

The T to R transition in the copper(II)-substituted insulin hexamer. Anion complexes of the R-state species exhibiting type 1 and type 2 spectral characteristics

inferredcites →https://doi.org/10.1021/bi00241a002openalex-snapshot

Characterization of the r-state insulin hexamer and its derivatives. The hexamer is stabilized by heterotropic ligand binding interactions

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Pyrazole binding in crystalline binary and ternary complexes with liver alcohol dehydrogenase

inferredcites →https://doi.org/10.1021/bi00282a025openalex-snapshot

Resonance Raman spectra of copper(II)-substituted liver alcohol dehydrogenase: a type 1 copper analog

inferredcites →https://doi.org/10.1021/bi00357a023openalex-snapshot

Studies of thermally induced denaturation of azurin and azurin derivatives by differential scanning calorimetry: evidence for copper selectivity

inferredcites →https://doi.org/10.1021/bi011591oopenalex-snapshot

Copper Binding before Polypeptide Folding Speeds Up Formation of Active (Holo) Pseudomonas aeruginosa Azurin

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H-Bonding Maintains the Active Site of Type 1 Copper Proteins: Site-Directed Mutagenesis of Asn38 in Poplar Plastocyanin

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Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent

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Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint

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Electron Transfer by Copper Centers

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Electronic Structures of Metal Sites in Proteins and Models: Contributions to Function in Blue Copper Proteins

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Structural and Functional Aspects of Metal Sites in Biology

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Transition-Metal Systems in Biochemistry Studied by High-Accuracy Quantum Chemical Methods

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Design and Spectroscopic Characterization of Peptide Models for the Plastocyanin Copper-Binding Loop

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Structural Characterization of Representative d7, d8, and d9 Transition Metal Complexes of Bis(o-carborane)

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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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Construction of a blue copper site at the native zinc site of yeast copper-zinc superoxide dismutase

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Theoretical Study on Water-Exchange Reactions of the Divalent and Trivalent Metal Ions of the First Transition Period

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Electronic Structure of the Reduced Blue Copper Active Site: Contributions to Reduction Potentials and Geometry

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Insulin stabilizes copper(II)-thiolate ligation that models blue copper proteins

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Production of hydrated metal ions by fast ion or atom beam sputtering. Collision-induced dissociation and successive hydration energies of gaseous copper+ with 1-4 water molecules

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Resonance Raman spectroscopy of blue copper proteins: ligand and coenzyme effects in copper(II)-substituted liver alcohol dehydrogenase

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Electronic structure and bonding of the blue copper site in plastocyanin

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Probing the Role of Axial Methionine in the Blue Copper Center of Azurin with Unnatural Amino Acids

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Spectroscopic Investigation of Stellacyanin Mutants: Axial Ligand Interactions at the Blue Copper Site

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Rare Fluctuations of Native Proteins Sampled by Equilibrium Hydrogen Exchange

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Electronic Structure and Solvation of Copper and Silver Ions: A Theoretical Picture of a Model Aqueous Redox Reaction

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Structure of Jahn–Teller distorted solvated copper(ii) ions in solution, and in solids with apparently regular octahedral coordination geometry

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The effect of pressure and guanidine hydrochloride on azurins mutated in the hydrophobic core

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Natural widths of atomic K and L levels, K α X-ray lines and several K L L Auger lines

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Bulk-solvent and hydration-shell fluctuations, similar to α- and β-fluctuations in glasses, control protein motions and functions

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Density-functional exchange-energy approximation with correct asymptotic behavior

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Density-functional approximation for the correlation energy of the inhomogeneous electron gas

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Evidence of distorted fivefold coordination of the Cu2+ aqua ion from an x-ray-absorption spectroscopy quantitative analysis

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Combined XANES and EXAFS analysis of Co2+, Ni2+, and Zn2+ aqueous solutions

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Structure of apo-azurin fromAlcaligenes denitrificansat 1.8 Å resolution

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Refined structure of Cu-substituted alcohol dehydrogenase at 2.1 Å resolution

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Geometrical fitting of experimental XANES spectra by a full multiple-scattering procedure

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NMR detection of multiple transitions to low‐populated states in azurin

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Effect of pH on Pyrazole Binding to Liver Alcohol Dehydrogenase

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Rack‐induced bonding in blue‐copper proteins

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Energised (entatic) States of Groups and of Secondary Structures in Proteins and Metalloproteins

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The Energy Landscapes and Motions of Proteins

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A pH Dependence Study on the Unfolding and Refolding of Apoazurin Comparison with Zn(II) Azurin

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1,5-Dimethyltetrazole as a ligand in energetic 3d5 to 3d10-metal coordination compounds

inferred← citeshttps://doi.org/10.1016/j.epsl.2014.12.028openalex-snapshot

Comment on “Molecular controls on Cu and Zn isotopic fractionation in Fe–Mn crusts” by Little et al.

inferred← citeshttps://doi.org/10.1016/j.gca.2012.08.038openalex-snapshot

Understanding the trends in transition metal sorption by vacancy sites in birnessite

inferred← citeshttps://doi.org/10.1016/j.gca.2013.03.019openalex-snapshot

Binding mechanism of Cu(II) at the clay–water interface by powder and polarized EXAFS spectroscopy

inferred← citeshttps://doi.org/10.1016/j.ica.2009.09.042openalex-snapshot

Mechanistic information on some inorganic and bioinorganic reactions from volume profile analysis

inferred← citeshttps://doi.org/10.1016/j.ica.2009.11.030openalex-snapshot

Is it always correct to use the Marcus cross relation for calculations of electron self-exchange rates?

inferred← citeshttps://doi.org/10.1016/j.ijms.2014.08.037openalex-snapshot

Structural elucidation of hydrated CuOH + complexes using IR action spectroscopy and theoretical modeling

inferred← citeshttps://doi.org/10.1016/j.jeurceramsoc.2016.04.030openalex-snapshot

Negative thermal expansion and electrical properties of α-Cu2V2O7

inferred← citeshttps://doi.org/10.1016/j.jiec.2026.08.040openalex-snapshot

Mechanism-guided functionalization of graphene oxide–based adsorbents for the removal of heavy metal ions from water: A review

inferred← citeshttps://doi.org/10.1016/j.jinorgbio.2014.12.008openalex-snapshot

Structural determination of Cu and Fe–Citrate complexes: theoretical investigation and analysis by ESI-MS

inferred← citeshttps://doi.org/10.1016/j.jmgm.2013.08.015openalex-snapshot

Density functional study of Cu2+-phenylalanine complex under micro-solvation environment

inferred← citeshttps://doi.org/10.1016/j.jmr.2005.11.011openalex-snapshot

Electron spin relaxation of copper(II) complexes in glassy solution between 10 and 120K

inferred← citeshttps://doi.org/10.1016/j.microc.2024.110296openalex-snapshot

Iontolysis using an electrically excited solid source of aqueous copper ions compatible with bacterial gene quantification

inferred← citeshttps://doi.org/10.1016/j.molliq.2017.01.019openalex-snapshot

Species fine structure of transition metal Cu(II) in aqueous chloride-bearing solutions: Insights from X-ray absorption spectroscopy and ab initio XANES calculations

inferred← citeshttps://doi.org/10.1016/j.molliq.2022.119439openalex-snapshot

Structures, temperature effect, binding and clustering energies of Cu2+(MeOH)n=1-8 clusters and extrapolations

inferred← citeshttps://doi.org/10.1016/j.molliq.2024.124068openalex-snapshot

Aqueous microsolvation of bivalent Cu, Zn and Cd. Quantum chemical topology analyses of cooperativity, anticooperativity and covalency

inferred← citeshttps://doi.org/10.1016/j.molliq.2024.125693openalex-snapshot

Solvent effects on the structures of the hydrated copper dication clusters

inferred← citeshttps://doi.org/10.1016/j.molstruc.2015.06.034openalex-snapshot

X-ray absorption study of the geometry structure of Co2+/Co3+ in ammonia solution

inferred← citeshttps://doi.org/10.1016/j.molstruc.2016.07.073openalex-snapshot

Potentiometric and DFT studies of Cu(II) complexes with glycylglycine and methionine of interest for the brain chemistry

inferred← citeshttps://doi.org/10.1016/j.molstruc.2019.127629openalex-snapshot

Theoretical and experimental characterization of Cu-doped amorphous silicate glass

inferred← citeshttps://doi.org/10.1016/j.molstruc.2026.147181openalex-snapshot

DFT-Assisted Experimental Investigation of Carbamide and Thiocarbamide Doped Carbon Quantum Dots for Fluorescence Sensing and Biological Applications

inferred← citeshttps://doi.org/10.1016/j.nima.2007.05.196openalex-snapshot

Quantitative investigation of two metallohydrolases by X-ray absorption spectroscopy near-edge spectroscopy

inferred← citeshttps://doi.org/10.1016/j.nima.2010.01.066openalex-snapshot

XAS study of LiFePO4 synthesized by solid state reactions and hydrothermal method

inferred← citeshttps://doi.org/10.1016/j.nocx.2019.100029openalex-snapshot

X-ray and UV-Vis-NIR absorption spectroscopy studies of the Cu(I) and Cu(II) coordination environments in mixed alkali-lime-silicate glasses

inferred← citeshttps://doi.org/10.1016/j.poly.2012.08.073openalex-snapshot

Synchrotron radiation X-ray absorption spectroscopic studies in solution and electrochemistry of a nitroimidazole conjugated heteroscorpionate copper(II) complex

inferred← citeshttps://doi.org/10.1016/j.saa.2023.123388openalex-snapshot

A Tb3+ ion encapsulated anionic indium-organic framework as logical probe for distinguishing quenching Fe3+ and Cu2+ ions

inferred← citeshttps://doi.org/10.1016/j.talanta.2019.01.037openalex-snapshot

A ratiometric fluorescent sensor with dual response of Fe3+/Cu2+ based on europium post-modified sulfone-metal-organic frameworks and its logical application

inferred← citeshttps://doi.org/10.1021/acs.inorgchem.0c00403openalex-snapshot

EXAFS Study on the Coordination Chemistry of the Solvated Copper(II) Ion in a Series of Oxygen Donor Solvents

inferred← citeshttps://doi.org/10.1021/acs.inorgchem.5b01467openalex-snapshot

Structure and Dynamics of Solvation Shells of Copper(II) Complexes with N,O-Containing Ligands

inferred← citeshttps://doi.org/10.1021/acs.jpca.1c01547openalex-snapshot

Electronic Structure and Vibrational Signatures of the Delocalized Radical in Hydrated Clusters of Copper(“II”) Hydroxide CuOH+(H2O)0–2

inferred← citeshttps://doi.org/10.1021/acs.jpca.3c03718openalex-snapshot

Persistence of a Delocalized Radical in Larger Clusters of Hydrated Copper(II) Hydroxide, CuOH+(H2O)3–7

inferred← citeshttps://doi.org/10.1021/acs.jpca.3c03719openalex-snapshot

Structural, Thermodynamic, and Spectroscopic Evolution in the Hydration of Copper(II) Ions, Cu2+(H2O)2−8

inferred← citeshttps://doi.org/10.1021/acs.jpca.5b08812openalex-snapshot

Reactions of Hexa-aquo Transition Metal Ions with the Hydrated Electron up to 300 °C

inferred← citeshttps://doi.org/10.1021/acs.jpca.6b03569openalex-snapshot

Equilibrium between 5- and 6-Fold Coordination in the First Hydration Shell of Cu(II)

inferred← citeshttps://doi.org/10.1021/acs.jpca.8b03216openalex-snapshot

Evaluating Density Functionals by Examining Molecular Structures, Chemical Bonding, and Relative Energies of Mononuclear Ru–Cl–H–PR3Isomers

inferred← citeshttps://doi.org/10.1021/acs.jpcb.1c05022openalex-snapshot

Symmetry Breaking in Solution-Phase [Cu(tsc)2(H2O)2]2+: Emergent Asymmetry in Cu–S Distances and in Covalence

inferred← citeshttps://doi.org/10.1021/acs.jpcb.5b01634openalex-snapshot

Solvation Structure of Zn2+ and Cu2+ Ions in Acetonitrile: A Combined EXAFS and XANES Study

inferred← citeshttps://doi.org/10.1021/acs.jpcb.5b09656openalex-snapshot

Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations

inferred← citeshttps://doi.org/10.1021/acs.jpcb.7b05949openalex-snapshot

Hydration Control Through Intramolecular Degrees of Freedom: Molecular Dynamics of [Cu(II)(Imidazole)4]

inferred← citeshttps://doi.org/10.1021/acs.jpcb.8b01650openalex-snapshot

Molecular Facts on the Structure and Dynamics of Electrolyte Species in Cu–Cl Cycle for Hydrogen Generation: An Insight from Molecular Dynamic Simulations

inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c01532openalex-snapshot

Near-Quantitative Predictions of the First-Shell Coordination Structure of Hydrated First-Row Transition Metal Ions Using K-Edge X-ray Absorption Near-Edge Spectroscopy

inferred← citeshttps://doi.org/10.1021/acs.jpclett.3c00611openalex-snapshot

A Combined Wave Function and Density Functional Approach for K-Edge X-ray Absorption Near-Edge Spectroscopy: A Case Study of Hydrated First-Row Transition Metal Ions

inferred← citeshttps://doi.org/10.1021/acs.jpclett.6b02067openalex-snapshot

Identifying Coordination Geometries of Metal Aquaions in Water: Application to the Case of Lanthanoid and Actinoid Hydrates

inferred← citeshttps://doi.org/10.1021/acscatal.7b00697openalex-snapshot

Facile Synthesis of KFI-type Zeolite and Its Application to Selective Catalytic Reduction of NO x with NH 3

inferred← citeshttps://doi.org/10.1021/ct400778hopenalex-snapshot

An Angular Overlap Model for Cu(II) Ion in the AMOEBA Polarizable Force Field

inferred← citeshttps://doi.org/10.1021/es501158ropenalex-snapshot

Environmentally Persistent Free Radicals (EPFRs). 3. Free versus Bound Hydroxyl Radicals in EPFR Aqueous Solutions

inferred← citeshttps://doi.org/10.1021/ic050703nopenalex-snapshot

MXAN Analysis of the XANES Energy Region of a Mononuclear Copper Complex: Applications to Bioinorganic Systems

inferred← citeshttps://doi.org/10.1021/ic0606431openalex-snapshot

Metal-Binding Thermodynamics of the Histidine-Rich Sequence from the Metal-Transport Protein IRT1 of Arabidopsis thaliana

inferred← citeshttps://doi.org/10.1021/ic062399jopenalex-snapshot

Comprehensive Molecular Mechanics Model for Oxidized Type I Copper Proteins: Active Site Structures, Strain Energies, and Entatic Bulging

inferred← citeshttps://doi.org/10.1021/ic2017819openalex-snapshot

The X-ray Absorption Spectroscopic Model of the Copper(II) Imidazole Complex Ion in Liquid Aqueous Solution: A Strongly Solvated Square Pyramid

inferred← citeshttps://doi.org/10.1021/ic202341mopenalex-snapshot

Speciation of Copper(II) Complexes in an Ionic Liquid Based on Choline Chloride and in Choline Chloride/Water Mixtures

inferred← citeshttps://doi.org/10.1021/ic3006647openalex-snapshot

X-ray Absorption Study of the Solvation Structure of Cu2+ in Methanol and Dimethyl Sulfoxide

inferred← citeshttps://doi.org/10.1021/ic7021243openalex-snapshot

Solution [Cu(amm)]2+ is a Strongly Solvated Square Pyramid: A Full Account of the Copper K-edge XAS Spectrum Within Single-Electron Theory

inferred← citeshttps://doi.org/10.1021/ic8008943openalex-snapshot

Direct Deconvolution of Two-State Pump-Probe X-ray Absorption Spectra and the Structural Changes in a 100 ps Transient of Ni(II)-tetramesitylporphyrin

inferred← citeshttps://doi.org/10.1021/ic800982aopenalex-snapshot

X-ray Absorption Spectroscopy of Hemes and Hemeproteins in Solution: Multiple Scattering Analysis

inferred← citeshttps://doi.org/10.1021/ic8013078openalex-snapshot

Geometric Isomerism in Pentacoordinate Cu2+ Complexes: Equilibrium, Kinetic, and Density Functional Theory Studies Reveal the Existence of Equilibrium between Square Pyramidal and Trigonal Bipyramidal Forms for a Tren-Derived Ligand

inferred← citeshttps://doi.org/10.1021/ic901264eopenalex-snapshot

Structural Investigation of Lanthanoid Coordination: a Combined XANES and Molecular Dynamics Study

inferred← citeshttps://doi.org/10.1021/ja805471aopenalex-snapshot

Cuaq+/Cuaq2+ Redox Reaction Exhibits Strong Nonlinear Solvent Response Due to Change in Coordination Number

inferred← citeshttps://doi.org/10.1021/jacs.3c14570openalex-snapshot

Fingerprint of Dipole Moment Orientation of Water Molecules in Cu2+ Aqueous Solution Probed by X-ray Photoelectron Spectroscopy

inferred← citeshttps://doi.org/10.1021/jacs.6c09177openalex-snapshot

Protein-Enforced Ligand Environments Reshape Classical Coordination Preferences in Copper Polypyridyl Complexes

inferred← citeshttps://doi.org/10.1021/jp054975nopenalex-snapshot

Factors Governing the Metal Coordination Number in Metal Complexes from Cambridge Structural Database Analyses

inferred← citeshttps://doi.org/10.1021/jp0717286openalex-snapshot

The Solvation of Cu2+ with Gas-Phase Clusters of Water and Ammonia

inferred← citeshttps://doi.org/10.1021/jp102272zopenalex-snapshot

Development and Validation of a ReaxFF Reactive Force Field for Cu Cation/Water Interactions and Copper Metal/Metal Oxide/Metal Hydroxide Condensed Phases

inferred← citeshttps://doi.org/10.1021/jp105376sopenalex-snapshot

The Role of Exact Exchange in the Description of Cu2+−(H2O)n(n= 1−6) Complexes by Means of DFT Methods

inferred← citeshttps://doi.org/10.1021/jp106762bopenalex-snapshot

[CuCln]2−nIon-Pair Species in 1-Ethyl-3-methylimidazolium Chloride Ionic Liquid−Water Mixtures: Ultraviolet−Visible, X-ray Absorption Fine Structure, and Density Functional Theory Characterization

inferred← citeshttps://doi.org/10.1021/jp210878sopenalex-snapshot

Coordination Numbers of Hydrated Divalent Transition Metal Ions Investigated with IRPD Spectroscopy

inferred← citeshttps://doi.org/10.1021/jp5012389openalex-snapshot

Photoemission Spectra and Density Functional Theory Calculations of 3d Transition Metal–Aqua Complexes (Ti–Cu) in Aqueous Solution

inferred← citeshttps://doi.org/10.1021/jp508962dopenalex-snapshot

Guided Ion Beam Studies of the Collision-Induced Dissociation of CuOH+(H2O)n (n = 1–4): Comprehensive Thermodynamic Data for Copper Ion Hydration

inferred← citeshttps://doi.org/10.1021/jp7115643openalex-snapshot

Hydration of Gaseous Copper Dications Probed by IR Action Spectroscopy

inferred← citeshttps://doi.org/10.1021/jp804373popenalex-snapshot

Hydration of Copper(II): New Insights from Density Functional Theory and the COSMO Solvation Model

inferred← citeshttps://doi.org/10.1021/jp904816dopenalex-snapshot

Computational Study of Copper(II) Complexation and Hydrolysis in Aqueous Solutions Using Mixed Cluster/Continuum Models

inferred← citeshttps://doi.org/10.1021/jp9090415openalex-snapshot

Development of a ReaxFF Reactive Force Field for Aqueous Chloride and Copper Chloride

inferred← citeshttps://doi.org/10.1039/b514789copenalex-snapshot

Copper

inferred← citeshttps://doi.org/10.1039/b806423gopenalex-snapshot

Conformations, structural transitions and visible near-infrared absorption spectra of four-, five- and six-coordinated Cu( ii ) aqua complexes

inferred← citeshttps://doi.org/10.1039/b921769jopenalex-snapshot

X-Ray absorption spectroscopy quantitative analysis of biomimetic copper(ii) complexes with tridentate nitrogen ligands mimicking the tris(imidazole) array of protein centres

inferred← citeshttps://doi.org/10.1039/c001916jopenalex-snapshot

Hydration mechanisms of Cu2+: tetra-, penta- or hexa-coordinated?

inferred← citeshttps://doi.org/10.1039/c1jm10947bopenalex-snapshot

Effect of Keggin polyoxometalate on Cu(ii) speciation and its role in the assembly of Cu3(BTC)2 metal–organic framework

inferred← citeshttps://doi.org/10.1039/c4ra10109jopenalex-snapshot

Site isolation and coordination control of a transition metal ion by molecular surface engineering in mesoporous silica: the case of a bio-inspired copper–polyamine grafted complex

inferred← citeshttps://doi.org/10.1039/c4sc02907kopenalex-snapshot

Revisiting the nature of Cu sites in the activated Cu-SSZ-13 catalyst for SCR reaction

inferred← citeshttps://doi.org/10.1039/c5cp05029dopenalex-snapshot

A method to calculate redox potentials relative to the normal hydrogen electrode in nonaqueous solution by using density functional theory-based molecular dynamics

inferred← citeshttps://doi.org/10.1039/c7sc02266bopenalex-snapshot

Composition-driven Cu-speciation and reducibility in Cu-CHA zeolite catalysts: a multivariate XAS/FTIR approach to complexity

inferred← citeshttps://doi.org/10.1039/c9en00855aopenalex-snapshot

Interfacial reactions of Cu( ii ) adsorption and hydrolysis driven by nano-scale confinement

inferred← citeshttps://doi.org/10.1039/d0cp05243dopenalex-snapshot

A spectroscopic study of solvent effects on the formation of Cu( ii )–chloride complexes in aqueous solution

inferred← citeshttps://doi.org/10.1039/d0ra05651kopenalex-snapshot

A coumarin derivative-Cu 2+ complex-based fluorescent chemosensor for detection of biothiols

inferred← citeshttps://doi.org/10.1039/d1cy00838bopenalex-snapshot

Framework coordination of single-ion Cu 2+ sites in hydrated 17 O-ZSM-5 zeolite

inferred← citeshttps://doi.org/10.1039/d2dt01476aopenalex-snapshot

Informing our understanding of the copper–cuprizone reaction with computational chemistry

inferred← citeshttps://doi.org/10.1063/1.2165189openalex-snapshot

The hydration of Cu2+: Can the Jahn-Teller effect be detected in liquid solution?

inferred← citeshttps://doi.org/10.1063/1.4767350openalex-snapshot

The x-ray absorption spectroscopy model of solvation about sulfur in aqueous L-cysteine

inferred← citeshttps://doi.org/10.1063/1.4811114openalex-snapshot

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

inferred← citeshttps://doi.org/10.1063/1.4908266openalex-snapshot

A high-resolution XAS study of aqueous Cu(II) in liquid and frozen solutions: Pyramidal, polymorphic, and non-centrosymmetric

inferred← citeshttps://doi.org/10.1063/1.4959589openalex-snapshot

Solvation structure of the halides from x-ray absorption spectroscopy

inferred← citeshttps://doi.org/10.1063/1.5024693openalex-snapshot

[Cu(aq)]2+ is structurally plastic and the axially elongated octahedron goes missing

inferred← citeshttps://doi.org/10.1063/5.0192024openalex-snapshot

Hydration numbers of biologically relevant divalent metal cations from ab initio molecular dynamics and continuum solvation methods

inferred← citeshttps://doi.org/10.1063/5.0316717openalex-snapshot

Water hydration at high pressure in Fe3+, Ni2+, and Cu2+ solutions probed by EXAFS

inferred← citeshttps://doi.org/10.1073/pnas.0608411104openalex-snapshot

X-ray structure analysis of a metalloprotein with enhanced active-site resolution using in situ x-ray absorption near edge structure spectroscopy

inferred← citeshttps://doi.org/10.1080/00268970802672684openalex-snapshot

Computational study of redox active centres of blue copper proteins: a computational DFT study

inferred← citeshttps://doi.org/10.1088/1742-6596/190/1/012059openalex-snapshot

The XAS model of dissolved Cu(II) and its significance to biological electron transfer

inferred← citeshttps://doi.org/10.1134/s0022476625110150openalex-snapshot

New Mixed-Cation Hexafluoridoindate(III) Hydrate of Rubidium and Heterovalent Copper

inferred← citeshttps://doi.org/10.1134/s003602441709031xopenalex-snapshot

Theoretical study on structures and infrared spectroscopy of Cu2+(H2O)Ar n (n = 1–4)

inferred← citeshttps://doi.org/10.1134/s1070363209080015openalex-snapshot

Structural parameters of Cu2+ aqua complexes in aqueous solutions of its salts

inferred← citeshttps://doi.org/10.1186/s12932-015-0020-6openalex-snapshot

Absorption mechanisms of Cu2+ on a biogenic bixbyite-like Mn2O3 produced by Bacillus CUA isolated from soil

inferred← citeshttps://doi.org/10.1255/ejms.1334openalex-snapshot

Hydrated Copper Ion Chemistry: Guided Ion Beam and Computational Investigation of Cu 2+ (H 2 O) n ( n = 7–10) Complexes

inferred← citeshttps://doi.org/10.1273/cbij.14.1openalex-snapshot

Fragment molecular orbital−based molecular dynamics (FMO-MD) simulations on hydrated Cu(II) ion

inferred← citeshttps://doi.org/10.1351/pac-con-09-10-22openalex-snapshot

Hydrated metal ions in aqueous solution: How regular are their structures?

inferred← citeshttps://doi.org/10.1360/sste-2024-0170openalex-snapshot

铜在矿物-熔体-流体之间的赋存和分配: 实验进展及成矿意义

inferred← citeshttps://doi.org/10.1529/biophysj.107.107540openalex-snapshot

Structural Features that Govern Enzymatic Activity in Carbonic Anhydrase from a Low-Temperature Adapted Fish, Chionodraco hamatus

inferred← citeshttps://doi.org/10.2174/9781608058525114020006openalex-snapshot

Metals in Alzheimer’s Disease: A Combined Experimental and Numerical Approach

inferred← citeshttps://doi.org/10.3390/life13091796openalex-snapshot

The Role of the CuCl Active Complex in the Stereoselectivity of the Salt-Induced Peptide Formation Reaction: Insights from Density Functional Theory Calculations

inferred← citeshttps://doi.org/10.3390/liquids2030014openalex-snapshot

Structures of Hydrated Metal Ions in Solid State and Aqueous Solution

inferred← citeshttps://doi.org/10.70675/aad30b86z77fcz4687za0f9za74de6f96225openalex-snapshot

Ab-Initio Study of the Cu 2p core-level XPS spectra of copper complexes

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