Works about ELECTRONIC structure
Results: 5000
Orbital and Electrical Dual Function of Polymer Intercalant for Promoting NH<sub>4</sub><sup>+</sup> Storage in Vanadium Oxide Anode.
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- Advanced Energy Materials, 2025, v. 15, n. 11, p. 1, doi. 10.1002/aenm.202404732
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- Article
Shota Tsuru.
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- Angewandte Chemie, 2025, v. 137, n. 3, p. 1, doi. 10.1002/ange.202422819
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Structurally Asymmetric Ni−O−Mn Node in Metal–Organic Layers on Carbon Nitride Support for CO<sub>2</sub> Photoreduction.
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- Angewandte Chemie, 2025, v. 137, n. 3, p. 1, doi. 10.1002/ange.202415538
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Constructing multicomponent cluster expansions with machine-learning and chemical embedding.
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- NPJ Computational Materials, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41524-025-01543-3
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Regulation of Ni 3 S 2 @NiS Heterostructure Grown on Industrial Nickel Net for Improved Electrocatalytic Hydrogen Evolution.
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- Catalysts (2073-4344), 2025, v. 15, n. 2, p. 136, doi. 10.3390/catal15020136
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Prediction of large spin-valley polarization in the Janus 2H–WSSe monolayer on VN magnetic substrate.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2025, v. 39, n. 4, p. 1, doi. 10.1142/S0217979225500407
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Orbital Selectivity in Pure and Electron-Doped MoO 2 Superconductor.
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- Processes, 2025, v. 13, n. 2, p. 565, doi. 10.3390/pr13020565
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Mo-Doped Co 3 O 4 Nanostructures for Enhanced N-Butanol Sensing Performance.
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- Chemosensors, 2025, v. 13, n. 2, p. 61, doi. 10.3390/chemosensors13020061
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Pyridine vs. Thiazole in Cyclometalated N^C^N Ni(II) Complexes.
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- Inorganics, 2025, v. 13, n. 2, p. 41, doi. 10.3390/inorganics13020041
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Advanced Strategies for Mitigating Catalyst Poisoning in Low and High Temperature Proton Exchange Membrane Fuel Cells: Recent Progress and Perspectives.
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- Crystals (2073-4352), 2025, v. 15, n. 2, p. 129, doi. 10.3390/cryst15020129
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Density Functional Theory Study of Hydrogen Adsorption on Al-U Alloy Surfaces.
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- Atoms (2218-2004), 2025, v. 13, n. 2, p. 9, doi. 10.3390/atoms13020009
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P-Doped Metal–Organic Framework (MOF)-Derived Co 3 O 4 Nanowire Arrays Supported on Nickle Foam: An Efficient Urea Electro-Oxidation Catalyst.
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- Coatings (2079-6412), 2025, v. 15, n. 2, p. 226, doi. 10.3390/coatings15020226
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The Puzzle of the Regioselectivity and Molecular Mechanism of the (3+2) Cycloaddition Reaction Between E-2-(Trimethylsilyl)-1-Nitroethene and Arylonitrile N -Oxides: Molecular Electron Density Theory (MEDT) Quantumchemical Study.
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- Molecules, 2025, v. 30, n. 4, p. 974, doi. 10.3390/molecules30040974
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Adsorption and Dissociation of 2-Chlorophenols on the 2D ZnO Monolayer Decorated with Al Atoms: A DFT Study.
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- Materials (1996-1944), 2025, v. 18, n. 4, p. 813, doi. 10.3390/ma18040813
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The Influence of Electron Beam Irradiation on the Performance of Hydrogenation Catalysts Containing Co and Carboneous Particles on Silica.
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- Chemistry (2624-8549), 2025, v. 7, n. 1, p. 26, doi. 10.3390/chemistry7010026
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The Structure and Decomposition Chemistry of Isomer Defects in a Crystalline DADNE.
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- Journal of Energetic Materials, 2010, v. 28, p. 128, doi. 10.1080/07370651003639389
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Electronic Structure Modulating of W<sub>18</sub>O<sub>49</sub> Nanospheres by Niobium Doping for Efficient Hydrogen Evolution Reaction.
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- Chemistry - A European Journal, 2024, v. 30, n. 71, p. 1, doi. 10.1002/chem.202403043
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Spectroscopic Properties and Reactivity of a Mn<sup>III</sup>‐Hydroperoxo Complex that is Stable at Room Temperature.
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- Chemistry - A European Journal, 2024, v. 30, n. 70, p. 1, doi. 10.1002/chem.202403051
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Manifold‐Fused Porphyrin‐Nanographene Conjugates.
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- Chemistry - A European Journal, 2024, v. 30, n. 69, p. 1, doi. 10.1002/chem.202403250
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Axial Coordination Engineering on Fe−N−C Materials for Oxygen Reduction: Insights from Theory.
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- Chemistry - A European Journal, 2024, v. 30, n. 69, p. 1, doi. 10.1002/chem.202402869
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Synthesis, Structures, and Properties for P<sup>III</sup>‐Doped Hetero‐Buckybowls and Their Phosphonium Salts.
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- Chemistry - A European Journal, 2024, v. 30, n. 68, p. 1, doi. 10.1002/chem.202402977
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Conjugated Coordination Nanosheets with Molecular Rotors for Pseudocapacitors: Nanoarchitectonics and Enhanced Performance.
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- Chemistry - A European Journal, 2024, v. 30, n. 67, p. 1, doi. 10.1002/chem.202402852
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Cover Feature: Aromaticity in Isoelectronic Analogues of Benzene, Carborazine and Borazine, from Electronic Structure and Magnetic Property (Chem. Eur. J. 66/2024).
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- Chemistry - A European Journal, 2024, v. 30, n. 66, p. 1, doi. 10.1002/chem.202486603
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Cover Feature: Probing Noncovalent Interaction Strengths of Host‐Guest Complexes Using Negative Ion Photoelectron Spectroscopy (Chem. Eur. J. 66/2024).
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- Chemistry - A European Journal, 2024, v. 30, n. 66, p. 1, doi. 10.1002/chem.202486602
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Aromaticity in Isoelectronic Analogues of Benzene, Carborazine and Borazine, from Electronic Structure and Magnetic Property.
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- Chemistry - A European Journal, 2024, v. 30, n. 66, p. 1, doi. 10.1002/chem.202403369
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Diels‐Alder Reaction Mechanisms of La@C<sub>60</sub> and Gd@C<sub>60</sub> Studied Using Density Functional Theory.
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- Chemistry - A European Journal, 2024, v. 30, n. 66, p. 1, doi. 10.1002/chem.202402572
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THz‐EPR‐based Magneto‐Structural Correlations for Cobalt(II) Single‐Ion Magnets With Bis‐Chelate Coordination.
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- Chemistry - A European Journal, 2024, v. 30, n. 60, p. 1, doi. 10.1002/chem.202401545
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The Journey for the Synthesis of Large Acenes.
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- Chemistry - A European Journal, 2024, v. 30, n. 57, p. 1, doi. 10.1002/chem.202402122
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Neutral and Anion Species of Quinoidal Thienothiophene Diketopyrrolopyrroles Display a Common Aggregation Mode.
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- Chemistry - A European Journal, 2024, v. 30, n. 56, p. 1, doi. 10.1002/chem.202402094
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Photocatalytic Sulfonylation: Innovations and Applications.
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- Chemistry - A European Journal, 2024, v. 30, n. 55, p. 1, doi. 10.1002/chem.202402416
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Dynamic Structural Fluxionality in a Planar Tetracoordinate Carbon Cluster Stabilized by Boron Ligands.
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- Chemistry - A European Journal, 2024, v. 30, n. 51, p. 1, doi. 10.1002/chem.202402132
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Contact Electrification as an Emerging Strategy for Controlling the Performance of Metal Nanoparticle Catalysts.
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- Chemistry - A European Journal, 2024, v. 30, n. 50, p. 1, doi. 10.1002/chem.202401718
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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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Modulating Heavy Atom Effect in Germylene for Persistent Room Temperature Phosphorescence.
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- Chemistry - A European Journal, 2024, v. 30, n. 45, p. 1, doi. 10.1002/chem.202401882
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Bowl‐Shaped Kekulene Analogues: Cycloarenes with two Five‐Membered Rings.
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- Chemistry - A European Journal, 2024, v. 30, n. 45, p. 1, doi. 10.1002/chem.202401828
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Conformational and Substitution Effects on the Donor and Reducing Strength of Tin(II) Porphyrinogens.
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- Chemistry - A European Journal, 2024, v. 30, n. 43, p. 1, doi. 10.1002/chem.202401685
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CoPS/Co<sub>4</sub>S<sub>3</sub> Heterojunction with Highly Exposed Active Sites and Dual‐site Synergy for Effective Hydrogen Evolution Reactions.
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- Chemistry - A European Journal, 2024, v. 30, n. 41, p. 1, doi. 10.1002/chem.202401038
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Linkage‐Mediated Electronic Structure Modulation in Multicomponent Covalent Organic Frameworks for Dramatically Promoted Photocatalytic Hydrogen Evolution.
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- Chemistry - A European Journal, 2024, v. 30, n. 39, p. 1, doi. 10.1002/chem.202401122
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Modulating the Coordination Chemistry of Cobalt Catalytic Sites by Ruthenium Species to Accelerate the Polysulfide Conversion Kinetics in Lithium‐Sulfur Batteries.
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- Chemistry - A European Journal, 2024, v. 30, n. 37, p. 1, doi. 10.1002/chem.202400945
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Defect Engineering in Bi‐Based Photo/Electrocatalysts for Nitrogen Reduction to Ammonia.
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- Chemistry - A European Journal, 2024, v. 30, n. 37, p. 1, doi. 10.1002/chem.202400342
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Modular Construction of Vinylene‐Linked Covalent Organic Frameworks with Tunable Emission for Tumor Visualization.
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- Chemistry - A European Journal, 2024, v. 30, n. 36, p. 1, doi. 10.1002/chem.202401044
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Use of Unprecedented Intramolecular 1, 3‐Dipolar Cycloaddition Reaction in meso‐Nitrile Oxide‐Containing BODIPYs as a New Pathway for the Preparation of Fused NIR Platforms.
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- Chemistry - A European Journal, 2024, v. 30, n. 35, p. 1, doi. 10.1002/chem.202401210
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Tetraanionic Oligo‐Dioxaborines: Strongly Absorbing Near‐Infrared Dyes.
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- Chemistry - A European Journal, 2024, v. 30, n. 34, p. 1, doi. 10.1002/chem.202401097
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Understanding the Remarkable Stability of Well‐Defined Dinuclear Copper(I) Carbene Complexes.
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- Chemistry - A European Journal, 2024, v. 30, n. 34, p. 1, doi. 10.1002/chem.202400283
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Scope and Limitations of Using Microemulsions for the Covalent Patterning of Graphene.
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- Chemistry - A European Journal, 2024, v. 30, n. 28, p. 1, doi. 10.1002/chem.202303809
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Spin‐Flip via Subtle Electronic Perturbation in Axially Ligated Diiron(III) Porphyrin Dimer.
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- Chemistry - A European Journal, 2024, v. 30, n. 26, p. 1, doi. 10.1002/chem.202400266
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On Haptotropic Rearrangements of Diphosphene and Diarsene Ligands in Titanium Complexes.
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- Chemistry - A European Journal, 2024, v. 30, n. 25, p. 1, doi. 10.1002/chem.202400575
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Regulation of Electronic Structures of the Urchin‐Like NiCoP/CoP Nanocatalysts for Fast Hydrogen Evolution.
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- Chemistry - A European Journal, 2024, v. 30, n. 23, p. 1, doi. 10.1002/chem.202304266
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Electronic Structure Analysis of the A<sub>10</sub>Tt<sub>2</sub>P<sub>6</sub> System (A=Li-Cs; Tt=Si, Ge, Sn) and Synthesis of the Direct Band Gap Semiconductor K<sub>10</sub>Sn<sub>2</sub>P<sub>6</sub>.
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- Chemistry - A European Journal, 2024, v. 30, n. 22, p. 1, doi. 10.1002/chem.202400002
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Direct Band Gap Semiconductors with Two‐ and Three‐Dimensional Triel‐Phosphide Frameworks (Triel=Al, Ga, In).
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- Chemistry - A European Journal, 2024, v. 30, n. 18, p. 1, doi. 10.1002/chem.202304097
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