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Ground and excited states analysis of alkali metal ethylenediamine and crown ether complexes

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Cluster-based materials: design and applications

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New kind of electride sandwich complexes based on the cyclooctatetraene ligand M12(η8-C8H8)2M22(M1= Na, K and M2= Ca, Mg): a theoretical study

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Computational mining of endohedral C70 electrides: tri-metal alkali and alkaline-earth encapsulation

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Cooperative adsorption performance of topological nodal surface fermions and excess electrons in a three-dimensional topological electride Ba3CrN3

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From an electride-like super alkali earth atom to a superalkalide or superalkali electride: M(HF)3M (M = Na or Li) as field-induced excellent inorganic NLO molecular switches

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A high-temperature quantum anomalous Hall effect in electride gadolinium monohalides

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Identifying different electronic transport mechanisms in nanoporous inorganic electrides – a combined study using Hall measurements and electron paramagnetic resonance spectroscopy

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A fresh perspective on metal ammonia molecular complexes and expanded metals: opportunities in catalysis and quantum information

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Hydride ion intercalation and conduction in the electride Sr3CrN3

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Conquering the impossible: mechanochemistry as a tool for tackling coordination chemistry challenges

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Theoretical insights into single-pole quadruple-throw (SP4T) inorganic nonlinear optics molecular switch of Na(HCN)3Na: from superalkali to superalkalides

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Ultralow work function of the electride Sr3CrN3

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Switching from an electride-like molecule to the molecular electride K-F6C6H6 driven by an oriented external electric field

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Role of hydride ion within Ru/LaScSi and Ru/CeTiGe catalysts for NH3 synthesis: A combination of DFT and experimental nitrogen isotopic exchange studies

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Introducing Novel Materials with Diffuse Electrons for Applications in Redox Catalysis and Quantum Computing via Theoretical Calculations

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Universal Metallic Surface States in Electrides

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Predicted Superconductivity in the Electride Li5C

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The Facile Dissociation of Carbon–Oxygen Bonds in CO2and CO on the Surface of LaCoSiHxIntermetallic Compound

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First-Principles Study of Three-Dimensional Electrides Containing One-Dimensional [Ba3N]3+ Chains

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MXene Phase with C3 Structure Unit: A Family of 2D Electrides

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Thickness‐Dependent Superconductivity in a Layered Electride on Silicon

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The case for fluoride-ion batteries

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Enhanced Activation of CO2 on h-BN Nanosheets via Forming a Donor–Acceptor Heterostructure with 2D M2X Electrenes

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Locating anionic hydrogen in Ba3(Yb,Lu)2O5H2: A combined approach of X-ray diffraction, crystal chemistry, and DFT calculations

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Role of Counterions in the Structural Stabilisation of Redox‐Active Metal‐Organic Frameworks**

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Magnetic Electrides: High-Throughput Material Screening, Intriguing Properties, and Applications

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Heavy metals in yttrium silicide electride (Y5Si3:e−)

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Hydrated electrons as nodes in porous clathrate hydrates

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Experimental realization of dice-lattice flat band at the Fermi level in layered electride YCl

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Pushing The Extreme of Multicentre Bonding: Planar Pentacoordinate Hydride

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Molecular Electrides: An In Silico Perspective

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Valence and Oxidation State: A Comparison of Their Value and Limitations as Simple Chemical Models

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First-Principles Study of Dimensionality Evolution of Electrides under Pressure

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Recent Advancement in Electrocatalytic Water Splitting Facilitated by the Sulfide Oxidation Reaction

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Crystalline aluminum silicides with electride state and superconductivity under high pressure

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Scandium and Titanium doped hexamine for remarkable nonlinear optical properties: a DFT study

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Catalisadores para síntese de amônia: revisão e desafios para a produção sustentável

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Pressure-stabilized superconducting electride Li5C

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Reduction of K+ or Li+ in the Heterobimetallic Electride K+[LiN(SiMe3)2]e–

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A van der Waals CaCl semiconducting electrene and ferromagnetic half-metallicity induced by superhalogen decoration

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Acid-durable intermetallic CaNi2Si2 catalyst with electron-rich Ni sites for aqueous phase hydrogenation of unsaturated organic anhydrides/acids

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Kagome Electride Superconductors Under Extreme Conditions

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Tuning the Magnetic and Electronic Properties of Two-Dimensional Electrides by Forming Cationic Janus Compounds

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Tuning the magnetic and electronic properties of two-dimensional electrides by forming cationic Janus compounds

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Electron-phonon driven superconductivity in the novel A15 phase of the Ti–Te system under pressure

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Electron-Deficient Type Electride Li4Al under High Pressure: Bonding Properties and Superconductivity

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Mechanochemistry for Organic and Inorganic Synthesis

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Predicted superconductivity and superionic state in the electride Li5N under high pressure

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As-Li electrides under high pressure: Superconductivity, plastic, and superionic states

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Magnetic electrides: Recent advances in materials realization and application prospects

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Corrosion behavior of anodized Ti-Ta binary surface alloys in various physiological fluids for implant applications

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Ground and excited electronic structures of electride and alkalide units: The cases of Metal‐Tren, ‐Azacryptand, and ‐TriPip222 complexes

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Confinement of quasi-atomic structures in Ti2N and Ti3N2 MXene electrides

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The Facile Dissociation of Carbon–Oxygen Bonds in CO2and CO on the Surface of LaCoSiHxIntermetallic Compound

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Impact of Coulomb interactions on the phase transition and electronic structure of Ba2N electride under pressure: A DFT+U+V approach

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Superconductivity in pure hafnium kagome electride under high pressure

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Electrides with Tunable Electron Delocalization for Applications in Quantum Computing and Catalysis

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Leading role of satellite interstitial electrons in superconductivity in ternary superlithide Li14CP

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Pressure-stabilized electride Li10Si with superconducting and superionic behavior

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Exploring interstitial electronic states in electride materials: DFT+U+V insights into Li8Au

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Theoretical and Experimental Studies of Gallate Melilite Electrides from Topotactic Reduction of Interstitial Oxide Ion Conductors

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Theoretical investigation on the possible use of superalkalis containing aza-cryptand in designing novel alkalides and alkaline earthides

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Simultaneous Superconducting and Topological Properties in Mg–Li Electrides at High Pressures

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Antiferromagnetism caused by excess electrons and multiple topological electronic states in the electride Ba4Al5·e−

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High-Pressure Electrides: A Quantum Chemical Perspective

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Sc2C, a 2D Semiconducting Electride

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Pushing The Extreme of Multicentre Bonding: Planar Pentacoordinate Hydride

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Mott magnetism, structural distortion, and superconductivity induced by interstitial electrons in calcium iodine electrides

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On the Electride Nature of Na‐hP4

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Superatomic Chelates: The Cases of Metal Aza-Crown Ethers and Cryptands

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Distinct electridelike nature of infinite-layer nickelates and the resulting theoretical challenges to calculate their electronic structure

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Encapsulation of volatile fission products by the intermetallic electride Sr3CrN3:e–

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