Works matching DE "ELECTRON configuration"
Results: 1519
Planar Tetracoordinate Silicon in Si<sub>3</sub>Cu<sub>3</sub><sup>−</sup> Cluster.
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- Angewandte Chemie, 2025, v. 137, n. 3, p. 1, doi. 10.1002/ange.202415789
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Electron correlation and relativistic effects in the excited states of radium monofluoride.
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- Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-55977-w
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Ab Initio Study of the Electron Structure and Magnetic and Caloric Properties of FeRhPb<sub>1 –</sub><sub>x</sub>Sn<sub>x</sub> Alloys.
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- Physics of Metals & Metallography, 2024, v. 125, n. 14, p. 1860, doi. 10.1134/S0031918X24602403
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Pigments and Near-Infrared Phosphors Based on Mn 5+.
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- Nanomaterials (2079-4991), 2025, v. 15, n. 4, p. 275, doi. 10.3390/nano15040275
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Ternary PdIrNi Telluride Amorphous Mesoporous Nanocatalyst for Efficient Electro-Oxidation of Ethylene Glycol.
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- Catalysts (2073-4344), 2025, v. 15, n. 2, p. 143, doi. 10.3390/catal15020143
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Electron-Shuttling Characteristics of Cassia obtusifolia Seed Extracts and Antiviral Activities of Anthraquinone Compounds Through In Silico Studies.
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- Processes, 2025, v. 13, n. 2, p. 458, doi. 10.3390/pr13020458
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Unconventional Superconducting States in the t-J Model on Creutz Lattice.
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- Journal of Low Temperature Physics, 2025, v. 218, n. 5, p. 423, doi. 10.1007/s10909-025-03264-9
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Theoretical Investigation of Bond Dissociation Energies of exo -Polyhedral B–H and B–F Bonds of closo -Borate Anions [B n H n−1 X] 2− (n = 6, 10, 12; X = H, F).
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- Computation, 2025, v. 13, n. 2, p. 28, doi. 10.3390/computation13020028
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Exploration of Regulation of Alcohol Dehydrogenation Reaction of Dibenzimidazole-Based Ruthenium Complexes.
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- Molecules, 2025, v. 30, n. 4, p. 842, doi. 10.3390/molecules30040842
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Building 3D Crosslinked Graphene‐MXene Nanoarchitectures Decorated with MoS<sub>2</sub> Quantum Dots Enables Efficient Electrocatalytic Hydrogen Evolution.
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- Chemistry - A European Journal, 2024, v. 30, n. 54, p. 1, doi. 10.1002/chem.202402430
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Electronic‐Structure Interpretation: How Much Do We Understand Ce L<sub>3</sub> XANES?
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- Chemistry - A European Journal, 2024, v. 30, n. 46, p. 1, doi. 10.1002/chem.202400755
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Ring Fusion Elevates the Electronic Mobility of Azabenzannulated Perylene Diimide.
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- Chemistry - A European Journal, 2024, v. 30, n. 37, p. 1, doi. 10.1002/chem.202401074
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14‐Membered Macrocyclic β‐Diiminato Gold(II) – A New Member for the Gold(II) Complex Family?
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- Chemistry - A European Journal, 2024, v. 30, n. 34, p. 1, doi. 10.1002/chem.202400924
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Co(II) Substitution Enhances the Esterase Activity of a de Novo Designed Zn(II) Carbonic Anhydrase.
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- Chemistry - A European Journal, 2024, v. 30, n. 24, p. 1, doi. 10.1002/chem.202304367
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Geometric and Electronic Engineering in Co/VN Nanoparticles to Boost Bifunctional Oxygen Electrocatalysis for Aqueous/Flexible Zn‐Air Batteries.
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- Chemistry - A European Journal, 2024, v. 30, n. 20, p. 1, doi. 10.1002/chem.202303943
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Template‐assisted Fabrication of O‐doped CoP Microflowers with Optimal Electronic Modulation for Electrochemical Hydrogen Evolution.
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- Chemistry - A European Journal, 2023, v. 29, n. 41, p. 1, doi. 10.1002/chem.202301252
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London Dispersion Effects on the Stability of Heavy Tetrel Molecules.
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- Chemistry - A European Journal, 2023, v. 29, n. 41, p. 1, doi. 10.1002/chem.202301247
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Frontispiece: Controlled Modification of Axial Coordination for Transition‐Metal Single‐Atom Electrocatalyst.
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- Chemistry - A European Journal, 2022, v. 28, n. 59, p. 1, doi. 10.1002/chem.202285962
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Controlled Modification of Axial Coordination for Transition‐Metal Single‐Atom Electrocatalyst.
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- Chemistry - A European Journal, 2022, v. 28, n. 59, p. 1, doi. 10.1002/chem.202201471
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Ag Doped Au<sub>44</sub> Nanoclusters for Electrocatalytic Conversion of CO<sub>2</sub> to CO.
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- Chemistry - A European Journal, 2022, v. 28, n. 46, p. 1, doi. 10.1002/chem.202201262
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Ultra‐Long Lived Luminescent Triplet Excited States in Cyclic (Alkyl)(amino)carbene Complexes of Zn(II) Halides.
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- Chemistry - A European Journal, 2022, v. 28, n. 45, p. 1, doi. 10.1002/chem.202201114
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A New Look at Molecular and Electronic Structure of Homoleptic Diiron(II,II) Complexes with N,N‐Bidentate Ligands: Combined Experimental and Theoretical Study.
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- Chemistry - A European Journal, 2022, v. 28, n. 40, p. 1, doi. 10.1002/chem.202200620
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Relativistic Spin–Orbit Electronegativity and the Chemical Bond Between a Heavy Atom and a Light Atom.
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- Chemistry - A European Journal, 2022, v. 28, n. 24, p. 1, doi. 10.1002/chem.202200277
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Lattice Oxygen Activation through Deep Oxidation of Co<sub>4</sub>N by Jahn–Teller–Active Dopants for Improved Electrocatalytic Oxygen Evolution.
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- Angewandte Chemie, 2024, v. 136, n. 33, p. 1, doi. 10.1002/ange.202405839
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[2+1] Cycloadditions Modulate the Hydrophobicity of Ni‐N<sub>4</sub> Single‐Atom Catalysts for Efficient CO<sub>2</sub> Electroreduction.
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- Angewandte Chemie, 2024, v. 136, n. 29, p. 1, doi. 10.1002/ange.202405650
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Rapid Defect Engineering in FeCoNi/FeAl<sub>2</sub>O<sub>4</sub> Hybrid for Enhanced Oxygen Evolution Catalysis: A Pathway to High‐Performance Electrocatalysts.
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- Angewandte Chemie, 2024, v. 136, n. 28, p. 1, doi. 10.1002/ange.202405372
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Engineering Co‐N‐Cr Cross‐Interfacial Electron Bridges to Break Activity‐Stability Trade‐Off for Superdurable Bifunctional Single Atom Oxygen Electrocatalysts.
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- Angewandte Chemie, 2024, v. 136, n. 15, p. 1, doi. 10.1002/ange.202400577
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Unusual Electronic Structures of an Electron Transfer Series of [Cr(μ‐η<sup>1</sup> : η<sup>1</sup>‐N<sub>2</sub>)Cr]<sup>0/1+/2+</sup>.
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- Angewandte Chemie, 2024, v. 136, n. 13, p. 1, doi. 10.1002/ange.202315386
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On‐Surface Synthesis and Determination of the Open‐Shell Singlet Ground State of Tridecacene**.
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- Angewandte Chemie, 2024, v. 136, n. 9, p. 1, doi. 10.1002/ange.202317091
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Bimetal‐bridging Nitrogen Coordination in Carbon‐based Electrocatalysts for pH‐universal Oxygen Reduction.
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- Angewandte Chemie, 2024, v. 136, n. 8, p. 1, doi. 10.1002/ange.202316005
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Reference‐Quality Free Energy Barriers in Catalysis from Machine Learning Thermodynamic Perturbation Theory.
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- Angewandte Chemie, 2024, v. 136, n. 6, p. 1, doi. 10.1002/ange.202312392
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Rational Atom Substitution to Obtain Efficient, Lead‐Free Photocatalytic Perovskites Assisted by Machine Learning and DFT Calculations.
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- Angewandte Chemie, 2023, v. 135, n. 52, p. 1, doi. 10.1002/ange.202315002
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Synergistic Nitrogen Binding Sites in a Metal‐Organic Framework for Efficient N<sub>2</sub>/O<sub>2</sub> Separation.
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- Angewandte Chemie, 2023, v. 135, n. 50, p. 1, doi. 10.1002/ange.202316149
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High‐Spin and Reactive Fe<sub>13</sub> Cluster with Exposed Metal Sites.
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- Angewandte Chemie, 2023, v. 135, n. 49, p. 1, doi. 10.1002/ange.202313880
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Electronic Configuration Tuning of Centrally Extended Non‐Fullerene Acceptors Enabling Organic Solar Cells with Efficiency Approaching 19 %.
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- Angewandte Chemie, 2023, v. 135, n. 42, p. 1, doi. 10.1002/ange.202308832
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Sandwich‐Kernelled AgCu Nanoclusters with Golden Ratio Geometry and Promising Photothermal Efficiency.
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- Angewandte Chemie, 2023, v. 135, n. 36, p. 1, doi. 10.1002/ange.202305604
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Extension of Non‐alternant Nanographenes Containing Nitrogen‐Doped Stone‐Thrower‐Wales Defects.
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- Angewandte Chemie, 2023, v. 135, n. 35, p. 1, doi. 10.1002/ange.202306890
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The Nephelauxetic Effect Becomes an Important Design Factor for Photoactive First‐Row Transition Metal Complexes.
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- Angewandte Chemie, 2023, v. 135, n. 30, p. 1, doi. 10.1002/ange.202303864
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Regulated High‐Spin State and Constrained Charge Behavior of Active Cobalt Sites in Covalent Organic Frameworks for Promoting Electrocatalytic Oxygen Reduction.
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- Angewandte Chemie, 2023, v. 135, n. 27, p. 1, doi. 10.1002/ange.202303871
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Photochromic Polyoxoniobates with Photoinduced "D‐f‐A" Electron Transfer Mechanism.
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- Angewandte Chemie, 2023, v. 135, n. 26, p. 1, doi. 10.1002/ange.202302111
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Spin Manipulation in a Metal–Organic Layer through Mechanical Exfoliation for Highly Selective CO<sub>2</sub> Photoreduction.
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- Angewandte Chemie, 2023, v. 135, n. 18, p. 1, doi. 10.1002/ange.202301925
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An Anomalous Electron Configuration Among 3d Transition Metal Atoms.
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- Angewandte Chemie, 2023, v. 135, n. 7, p. 1, doi. 10.1002/ange.202216898
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Increased Surface Density of States at the Fermi Level for Electron Transport Across Single‐Molecule Junctions.
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- Angewandte Chemie, 2023, v. 135, n. 6, p. 1, doi. 10.1002/ange.202214963
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Improving the Accuracy of Modelling CO<sub>2</sub> Electroreduction on Copper Using Many‐Body Perturbation Theory.
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- Angewandte Chemie, 2022, v. 134, n. 43, p. 1, doi. 10.1002/ange.202210060
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Periodically Interrupting Bonding Behavior to Reformat Delocalized Electronic States of Graphdiyne for Improved Electrocatalytic Hydrogen Evolution.
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- Angewandte Chemie, 2022, v. 134, n. 42, p. 1, doi. 10.1002/ange.202211094
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- Article
Yun Liu.
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- Angewandte Chemie, 2022, v. 134, n. 34, p. 1, doi. 10.1002/ange.202208517
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- Article
Ru–Co Pair Sites Catalyst Boosts the Energetics for the Oxygen Evolution Reaction.
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- Angewandte Chemie, 2022, v. 134, n. 32, p. 1, doi. 10.1002/ange.202205946
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Back‐Gated van der Waals Heterojunction Manipulates Local Charges toward Fine‐Tuning Hydrogen Evolution.
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- Angewandte Chemie, 2022, v. 134, n. 32, p. 1, doi. 10.1002/ange.202203522
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Asymmetrically Doping a Platinum Atom into a Au<sub>38</sub> Nanocluster for Changing the Electron Configuration and Reactivity in Electrocatalysis.
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- Angewandte Chemie, 2022, v. 134, n. 31, p. 1, doi. 10.1002/ange.202207685
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Anomalous Redox Features Induced by Strong Covalency in Layered NaTi<sub>1−y</sub>V<sub>y</sub>S<sub>2</sub> Cathodes for Na‐Ion Batteries.
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- Angewandte Chemie, 2022, v. 134, n. 27, p. 1, doi. 10.1002/ange.202205444
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