Works about ELECTRON density
Results: 4794
Electronic Transport Properties of Sn-Doped β-Ga<sub>2</sub>O<sub>3</sub> (010) Thin Films Grown by MBE Homoepitaxial Growth.
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- Journal of Synthetic Crystals, 2025, v. 54, n. 2, p. 244, doi. 10.16553/j.cnki.issn1000-985x.2024.0279
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- Article
Stepwise, biradical nature of the [3+2] cycloaddition reaction between 4-nitrobenzonitrile N-oxide and simple ethene: a reexamination.
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- Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 670, doi. 10.1007/s10593-025-03391-x
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- Article
Quantum study of the [3+2] cycloaddition of nitrile oxide and carvone oxime: insights into toxicity, pharmacokinetics, and mechanism.
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- Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 646, doi. 10.1007/s10593-025-03388-6
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- Article
Selectivity and molecular mechanism of the Au(III)-catalyzed [3+2] cycloaddition reaction between (Z)-C,N-diphenylnitrone and nitroethene in the light of the molecular electron density theory computational study.
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- Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 639, doi. 10.1007/s10593-025-03387-7
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- Article
Elucidating chemoselectivity and unraveling the mechanism of 1,3-dipolar cycloaddition between diphenyl nitrilimine and (isoxazol-3-yl)methylbenzimidazole through molecular electron density theory.
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- Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 617, doi. 10.1007/s10593-025-03385-9
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- Article
Synthesis of bis(het)aryl systems via domino reaction involving (2E,4E)-2,5-dinitrohexa-2,4-diene: DFT mechanistic considerations.
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- Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 600, doi. 10.1007/s10593-025-03383-x
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- Article
Investigating the chemical reactivity and molecular docking of 2-diazo-3,3,3-trifluoro-1-nitropropane with phenyl methacrylate using computational methods.
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- Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 592, doi. 10.1007/s10593-025-03382-y
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- Article
Comprehensive study on the stereoselective epoxidation of aromatic atlantone: mechanism, ADME analysis, and potential as COVID-19 drug.
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- Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 568, doi. 10.1007/s10593-025-03379-7
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- Article
Molecular docking, exploring diverse selectivities and mechanistic insights in the cycloaddition reaction between 3-benzoylpyrrolo-[1,2-a]quinoxaline-1,2,4(5H)-triones and butyl vinyl ether.
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- Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 584, doi. 10.1007/s10593-025-03381-z
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- Article
The Effect of Vacuum Annealing on the Structural, Electric, and Optical Properties, and Photocatalytic Activities of Sputtered TiO 2 and Nb-Doped TiO 2 Films.
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- Catalysts (2073-4344), 2025, v. 15, n. 2, p. 166, doi. 10.3390/catal15020166
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- Article
Low-Latitude Ionospheric and Geomagnetic Disturbances Caused by the X7.13 Solar Flare of 25 February 2014.
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- Universe (2218-1997), 2025, v. 11, n. 2, p. 70, doi. 10.3390/universe11020070
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- Article
Research on Enhancement of LIBS Signal Stability Through the Selection of Spectral Lines Based on Plasma Characteristic Parameters.
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- Chemosensors, 2025, v. 13, n. 2, p. 42, doi. 10.3390/chemosensors13020042
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- Article
The Role of Methyl Substitution in Spin Crossover of Fe(III) Complexes with Pentadentate Schiff Base Ligands.
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- Inorganics, 2025, v. 13, n. 2, p. 57, doi. 10.3390/inorganics13020057
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- Article
On Modeling X-Ray Diffraction Intensity Using Heavy-Tailed Probability Distributions: A Comparative Study.
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- Crystals (2073-4352), 2025, v. 15, n. 2, p. 188, doi. 10.3390/cryst15020188
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- Article
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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- Article
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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- Article
Compact SPICE Model for TeraFET Resonant Detectors.
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- Micromachines, 2025, v. 16, n. 2, p. 152, doi. 10.3390/mi16020152
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- Article
Amyloid accelerator polyphosphate fits as the mystery density in α-synuclein fibrils.
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- PLoS Biology, 2024, v. 22, n. 10, p. 1, doi. 10.1371/journal.pbio.3002650
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- Article
Applying the Inelastic Thermal Spike Model to the Investigation of Damage Induced by High‐Energy Ions in Polymers.
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- Macromolecular Chemistry & Physics, 2023, v. 224, n. 4, p. 1, doi. 10.1002/macp.202200339
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- Article
Reactivity of Polynuclear Niobium Oxynitride Cluster Anions Nb<sub>4</sub>N<sub>5‐x</sub>O<sub>x</sub><sup>−</sup> (x=0–5) toward N<sub>2</sub>.
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- Chemistry - A European Journal, 2024, v. 30, n. 72, p. 1, doi. 10.1002/chem.202402695
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- Article
Two‐Positron‐bonded Dihalides: Ps<sub>2</sub>XY (X, Y=F, Cl, Br).
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- Chemistry - A European Journal, 2024, v. 30, n. 70, p. 1, doi. 10.1002/chem.202402618
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- Article
Manipulating the Substituent Sphere of a Bicyclic Silicon(I) Ring Compound Results in Anionic Cubane‐Type Clusters and a Tetrahedral Silanide.
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- Chemistry - A European Journal, 2024, v. 30, n. 65, p. 1, doi. 10.1002/chem.202400368
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- Article
Hypervalent Chalcogen Bonds Catalysis on the Intramolecular Aza‐Michael Reaction of Aminochalcone: Catalytic Performance and Chalcogen Bond Properties.
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- Chemistry - A European Journal, 2024, v. 30, n. 45, p. 1, doi. 10.1002/chem.202401886
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- Article
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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- Article
In Silico Design and Characterization of a New Molecular Electride: Li@Calix[3]Pyrrole.
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- Chemistry - A European Journal, 2024, v. 30, n. 38, p. 1, doi. 10.1002/chem.202400448
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- Article
Fingerprints of Chalcogen Bonding Revealed Through <sup>77</sup>Se‐NMR.
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- Chemistry - A European Journal, 2024, v. 30, n. 30, p. 1, doi. 10.1002/chem.202400385
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- Article
Photoredox Catalytic Access to N,O‐Acetals from Enamides by Means of Electron‐Poor Perylene Bisimides.
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- Chemistry - A European Journal, 2024, v. 30, n. 26, p. 1, doi. 10.1002/chem.202400247
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- Article
Tandem Electrochemical Oxidation of Polycyclic Aromatic Amines Towards Carbazoles and Phenazine‐based Aza‐helicenes.
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- Chemistry - A European Journal, 2024, v. 30, n. 25, p. 1, doi. 10.1002/chem.202400614
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- Article
Monomeric gold hydrides for carbon dioxide reduction: ligand effect on the reactivity.
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- Chemistry - A European Journal, 2024, v. 30, n. 19, p. 1, doi. 10.1002/chem.202303512
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- Article
Dynamic Covalent Bonds in the Ebselen Class of Antioxidants Probed by X‐ray Quantum Crystallography.
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- Chemistry - A European Journal, 2024, v. 30, n. 14, p. 1, doi. 10.1002/chem.202303384
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- Article
Facile Access to Cationic Methylstannylenes and Silylenes Stabilized by E−Pt Bonding and their Methyl Group Transfer Reactivity.
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- Chemistry - A European Journal, 2024, v. 30, n. 8, p. 1, doi. 10.1002/chem.202303789
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- Article
An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
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- Chemistry - A European Journal, 2024, v. 30, n. 8, p. 1, doi. 10.1002/chem.202303335
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- Article
Unraveling the Push‐Pull Effect in Acenes, Polyenes and Polyynes.
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- Chemistry - A European Journal, 2024, v. 30, n. 4, p. 1, doi. 10.1002/chem.202303207
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- Article
Gas‐Phase Alkali‐Metal Cation Affinities of Stabilized Enolates.
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- Chemistry - A European Journal, 2023, v. 29, n. 71, p. 1, doi. 10.1002/chem.202302540
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- Article
Polymorphism and Light‐Driven Forward Movement of TPE Derivative Micro‐Crystal due to ArH‐pi Interactions Difference.
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- Chemistry - A European Journal, 2023, v. 29, n. 68, p. 1, doi. 10.1002/chem.202302567
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- Article
A General Strategy for Increasing the Air Stability of Phosphines Including Primary Phosphines.
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- Chemistry - A European Journal, 2023, v. 29, n. 68, p. 1, doi. 10.1002/chem.202302518
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- Article
Infrared Spectroscopic and Theoretical Investigations of Group 13 Oxyfluorides OMF<sub>2</sub> and OMF (M=B, Al, Ga, In).
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- Chemistry - A European Journal, 2023, v. 29, n. 49, p. 1, doi. 10.1002/chem.202301676
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- Article
Development of Fluorescent Isocoumarin‐Fused Oxacyclononyne – 1,2,3‐Triazole Pairs.
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- Chemistry - A European Journal, 2023, v. 29, n. 47, p. 1, doi. 10.1002/chem.202300540
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- Article
Corrigendum: Four‐Membered Bimetallic Carbon Complex [(M(η<sup>5</sup>‐C<sub>5</sub>(CH<sub>3</sub>)<sub>5</sub>))<sub>2</sub>(μ‐NPh)(μ‐C)] (M=Fe, Ru, Os)—An Ambiphilic Carbene with Lone Pair and σ‐Hole Reactivity
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- 2023
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- Correction Notice
CO<sub>2</sub> Activation on Cu/TiO<sub>2</sub> Nanostructures: Importance of Dual Binding Site.
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- Chemistry - A European Journal, 2023, v. 29, n. 36, p. 1, doi. 10.1002/chem.202300757
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- Article
Structural Complexity in the Apparently Simple Crystal Structure of Be<sub>2</sub>Ru.
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- Chemistry - A European Journal, 2023, v. 29, n. 33, p. 1, doi. 10.1002/chem.202300578
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- Article
Negative Homotropic Cooperativity in Guest Binding of a Trisporphyrin Double Cleft.
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- Chemistry - A European Journal, 2023, v. 29, n. 32, p. 1, doi. 10.1002/chem.202300107
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- Article
Photophysical Behavior of Self‐Organizing Derivatives of 10‐ and 12‐Vertex p‐Carboranes, and their Bicyclo[2.2.2]octane and Benzene Analogues.
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- Chemistry - A European Journal, 2023, v. 29, n. 30, p. 1, doi. 10.1002/chem.202203948
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- Article
Molecular Shape, Electronic Factors, and the Ferroelectric Nematic Phase: Investigating the Impact of Structural Modifications.
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- Chemistry - A European Journal, 2023, v. 29, n. 28, p. 1, doi. 10.1002/chem.202300073
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- Article
Impact of Internal Charge Transfer on the Photophysical Properties of Pyridine‐Fused Phosphorus‐Nitrogen Heterocycles.
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- Chemistry - A European Journal, 2023, v. 29, n. 19, p. 1, doi. 10.1002/chem.202203918
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- Article
Photophysics of Anionic Bis(4H‐imidazolato)Cu<sup>I</sup> Complexes.
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- Chemistry - A European Journal, 2022, v. 28, n. 72, p. 1, doi. 10.1002/chem.202202697
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- Article
[Nb@Ge<sub>13/14</sub>]<sup>3−</sup>: New Family Members of Ge‐Based Intermetalloid Clusters.
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- Chemistry - A European Journal, 2022, v. 28, n. 62, p. 1, doi. 10.1002/chem.202202192
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- Article
Enhancing Dual‐State Emission in Maleimide Fluorophores through Fluorocarbon Functionalisation.
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- Chemistry - A European Journal, 2022, v. 28, n. 58, p. 1, doi. 10.1002/chem.202201877
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- Article
Synchrotron X‐ray Electron Density Analysis of Chemical Bonding in the Graphitic Carbon Nitride Precursor Melamine.
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- Chemistry - A European Journal, 2022, v. 28, n. 54, p. 1, doi. 10.1002/chem.202201295
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- Article
Real‐Space Interpretation of Interatomic Charge Transfer and Electron Exchange Effects by Combining Static and Kinetic Potentials and Associated Vector Fields**.
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- Chemistry - A European Journal, 2022, v. 28, n. 48, p. 1, doi. 10.1002/chem.202200985
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- Article