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Superatom Compounds, Clusters, and Assemblies: Ultra Alkali Motifs and Architectures
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Geometry optimization in density functional methods
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Physics and Chemistry of Finite Systems: From Clusters to Crystals
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Structural, electronic, and chemical properties of multiply iodized aluminum clusters
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The photoionization of oxidized metal clusters
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Thermal metal cluster anion reactions: Behavior of aluminum clusters with oxygen
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Calculations of the binding energies and structures of sodium chloride clusters and cluster ions
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Self-Consistent Equations Including Exchange and Correlation Effects
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Thermal isomerization in Cs4Cl3−
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Optimization of Gaussian basis sets for density-functional calculations
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Variational mesh for quantum-mechanical simulations
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Accurate forces in a local-orbital approach to the local-density approximation
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( BAl12 )Cs:mA cluster-assembled solid
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Electronic structure of solid C60 : Experiment and theory
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Assembling crystals from clusters
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Generalized Gradient Approximation Made Simple
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s - p Hybridization and Electron Shell Structures in Aluminum Clusters: A Photoelectron Spectroscopy Study
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The physics of simple metal clusters: self-consistent jellium model and semiclassical approaches
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Al Cluster Superatoms as Halogens in Polyhalides and as Alkaline Earths in Iodide Salts
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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inferred← citeshttps://doi.org/10.1021/acsomega.0c01375openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ja1085244openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/jacs.3c12619openalex-snapshot
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DFT Study of Al n (1−13) Clusters Encapsulated Inside Single Walled Carbon Nanotubes
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Transition-Metal-Doped Aluminum Hydrides as Building Blocks for Supramolecular Assemblies
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Ab Initio Investigation on a New Class of Binuclear Superalkali Cations M2Li2k+1+ (F2Li3+, O2Li5+, N2Li7+, and C2Li9+)
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Aluminum Cluster Anion Reactivity with Singlet Oxygen: Evidence of Al9– Stability
inferred← citeshttps://doi.org/10.1021/jp203452aopenalex-snapshot
Size- and Shape-Sensitive Reactivity Behavior of Aln (n = 2–5, 13, 30, and 100) Clusters Toward the N2 Molecule: A First-Principles Investigation
inferred← citeshttps://doi.org/10.1021/jp403109sopenalex-snapshot
Understanding the Site Selectivity in Small-Sized Neutral and Charged Aln (4 ≤ n ≤ 7) Clusters Using Density Functional Theory Based Reactivity Descriptors: A Validation Study on Water Molecule Adsorption
inferred← citeshttps://doi.org/10.1021/jp508302bopenalex-snapshot
Oxidation at the Subnanometer Scale
inferred← citeshttps://doi.org/10.1021/jp512261vopenalex-snapshot
Al12Cu Superatom as Stable Building Block of Ionic Salts
inferred← citeshttps://doi.org/10.1021/jp804667dopenalex-snapshot
AlnBi Clusters: Transitions Between Aromatic and Jellium Stability
inferred← citeshttps://doi.org/10.1021/jp806850hopenalex-snapshot
Clusters, Superatoms, and Building Blocks of New Materials
inferred← citeshttps://doi.org/10.1021/jp911136sopenalex-snapshot
Reactivity of Aluminum Cluster Anions with Water: Origins of Reactivity and Mechanisms for H2 Release
inferred← citeshttps://doi.org/10.1021/jz200215sopenalex-snapshot
From Elements to Clusters: The Periodic Table Revisited
inferred← citeshttps://doi.org/10.1021/nn7003958openalex-snapshot
From SiO Molecules to Silicates in Circumstellar Space: Atomic Structures, Growth Patterns, and Optical Signatures of SinOm Clusters
inferred← citeshttps://doi.org/10.1038/s41467-017-02250-4openalex-snapshot
Solution-phase synthesis of Al13 − using a dendrimer template
inferred← citeshttps://doi.org/10.1038/s41467-018-06244-8openalex-snapshot
Nanomaterials design for super-degenerate electronic state beyond the limit of geometrical symmetry
inferred← citeshttps://doi.org/10.1038/s41467-019-11649-0openalex-snapshot
Periodicity of molecular clusters based on symmetry-adapted orbital model
inferred← citeshttps://doi.org/10.1038/s41467-022-29034-9openalex-snapshot
Al13− and B@Al12− superatoms on a molecularly decorated substrate
inferred← citeshttps://doi.org/10.1038/s41578-019-0175-3openalex-snapshot
Superatoms in materials science
inferred← citeshttps://doi.org/10.1039/c1cp22190fopenalex-snapshot
Throwing jellium at gallium—a systematic superatom analysis of metalloid gallium clusters
inferred← citeshttps://doi.org/10.1039/c2cp41820gopenalex-snapshot
DFT studies on the structure and properties of the carbon aluminium Al3C cluster, a pseudohalogen superatom
inferred← citeshttps://doi.org/10.1039/c2cp42386copenalex-snapshot
Evolution of the structural and electronic properties of beryllium-doped aluminum clusters: comparison with neutral and cationic aluminum clusters
inferred← citeshttps://doi.org/10.1039/c2dt31429kopenalex-snapshot
Prediction and characterization of novel polynuclear superalkali cations
inferred← citeshttps://doi.org/10.1039/c3cp51443aopenalex-snapshot
Structures and nonlinear optical properties of the endohedral metallofullerene-superhalogen compounds Li@C60–BX4 (X = F, Cl, Br)
inferred← citeshttps://doi.org/10.1039/c3dt50224dopenalex-snapshot
Superalkali character of alkali-monocyclic (pseudo)oxocarbon clusters
inferred← citeshttps://doi.org/10.1039/c3nj01075aopenalex-snapshot
Electronic subshell splitting controls the atomic structure of charged and neutral silver clusters
inferred← citeshttps://doi.org/10.1039/c4cp02994aopenalex-snapshot
Atomic domain magnetic nanoalloys: interplay between molecular structure and temperature dependent magnetic and dielectric properties in manganese doped tin clusters
inferred← citeshttps://doi.org/10.1039/c4dt02347aopenalex-snapshot
Trivalent acid radical-centered YLi 4 + (Y = PO 4 , AsO 4 , VO 4 ) cations: new polynuclear species designed to enrich the superalkali family
inferred← citeshttps://doi.org/10.1039/c4ra06774fopenalex-snapshot
Unusual properties of novel Li 3 F 3 ring: (LiF 2 –Li 2 F) superatomic cluster or lithium fluoride trimer, (LiF) 3 ?
inferred← citeshttps://doi.org/10.1039/c5nr02278aopenalex-snapshot
Oxidative addition of the C–I bond on aluminum nanoclusters
inferred← citeshttps://doi.org/10.1039/c6cp00373gopenalex-snapshot
Transition from exohedral to endohedral structures of AuGe n − (n = 2–12) clusters: photoelectron spectroscopy and ab initio calculations
inferred← citeshttps://doi.org/10.1039/c6cp04486gopenalex-snapshot
First-principles calculations of the electronic structure and bonding in metal cluster–fullerene materials considered within the superatomic framework
inferred← citeshttps://doi.org/10.1039/c7cc01443kopenalex-snapshot
Assembly of titanium-oxo cations with copper-halide anions to form supersalt-type cluster-based materials
inferred← citeshttps://doi.org/10.1039/c7nr03114aopenalex-snapshot
Quintuple super bonding between the superatoms of metallic clusters
inferred← citeshttps://doi.org/10.1039/c7ra01422hopenalex-snapshot
Theoretical design of stable hydride clusters: isoelectronic transformation in the E n Al 4−n H 7+n − series
inferred← citeshttps://doi.org/10.1039/c7ra12852eopenalex-snapshot
The behavior of the aluminum trimer when combining with different superatom clusters
inferred← citeshttps://doi.org/10.1039/c8cc08200fopenalex-snapshot
Binding for endohedral-metallofullerene superatoms induced by magnetic coupling
inferred← citeshttps://doi.org/10.1039/c8cp00015hopenalex-snapshot
A theoretical study on the structures and electronic and magnetic properties of new boron nitride composite nanosystems by depositing superhalogen Al 13 on the surface of nanosheets/nanoribbons
inferred← citeshttps://doi.org/10.1039/c8ra01632aopenalex-snapshot
Adsorbing the magnetic superhalogen MnCl 3 to realize intriguing half-metallic and spin-gapless-semiconducting behavior in zigzag or armchair SiC nanoribbon
inferred← citeshttps://doi.org/10.1039/c9cp00444kopenalex-snapshot
Account of chemical bonding and enhanced reactivity of vanadium-doped rhodium clusters toward C–H activation: a DFT investigation
inferred← citeshttps://doi.org/10.1039/c9cp02077bopenalex-snapshot
On the ligand–core interaction in ligand-protected gold superatoms. Insights from Au 25 (XR) 18 (X = S, Se, Te) via relativistic DFT calculations
inferred← citeshttps://doi.org/10.1039/c9nj02130bopenalex-snapshot
Insight into the structure and bonding of copper( i ) iodide clusters and a cluster-based coordination polymer
inferred← citeshttps://doi.org/10.1039/c9nr02617gopenalex-snapshot
Electronic shells of a tubular Au 26 cluster: a cage–cage superatomic molecule based on spherical aromaticity
inferred← citeshttps://doi.org/10.1039/d0cp03769aopenalex-snapshot
Unveiling the potential of superalkali cation Li 3 + for capturing nitrogen
inferred← citeshttps://doi.org/10.1039/d0nr05480aopenalex-snapshot
Multiple d–d bonds between early transition metals in TM 2 Li n (TM = Sc, Ti) superatomic molecule clusters
inferred← citeshttps://doi.org/10.1039/d0ra01644fopenalex-snapshot
Bonding properties of a superatom system with high- Z elements: insights from energy decomposition analysis
inferred← citeshttps://doi.org/10.1039/d1cp01533hopenalex-snapshot
Designing an alkali-metal-like superatom Ca 3 B for ambient nitrogen reduction to ammonia
inferred← citeshttps://doi.org/10.1039/d1cp02798kopenalex-snapshot
Prediction of an Al 4 C 4 superatom organic framework (SOF) material based on the superatom network model
inferred← citeshttps://doi.org/10.1039/d2cp00967fopenalex-snapshot
High electron affinity triggered by lithium coordination: quasi-chalcogen properties of Li 2 Sn 8 Be
inferred← citeshttps://doi.org/10.1039/d2dt00321jopenalex-snapshot
Mixed superalkalis are a better choice than pure superalkalis for B 12 N 12 nanocages to design high-performance nonlinear optical materials
inferred← citeshttps://doi.org/10.1039/d2nr06097copenalex-snapshot
Polymeric tungsten carbide nanoclusters as potential non-noble metal catalysts for CO oxidation
inferred← citeshttps://doi.org/10.1039/d2ra01591aopenalex-snapshot
Magnetic coupling induced by the interaction between endohedral metal borofullerenes
inferred← citeshttps://doi.org/10.1039/d3cp05363fopenalex-snapshot
Theoretical prediction of superatom WSi 12 -based catalysts for CO oxidation by N 2 O
inferred← citeshttps://doi.org/10.1039/d3cp05478kopenalex-snapshot
Chemical properties of superatomic Li 3 O clusters from a density functional theory perspective: formation of chloride and adsorption behavior on graphynes
inferred← citeshttps://doi.org/10.1039/d3dt02693kopenalex-snapshot
Second-order superatoms: Au 52 -PAP featuring a three-dimensional cluster-of-clusters core
inferred← citeshttps://doi.org/10.1039/d4nj03342fopenalex-snapshot
Investigation of the electronic and optical properties of Al 13 –dianhydride complexes by (time-dependent) density functional theory
inferred← citeshttps://doi.org/10.1039/d4nr02778gopenalex-snapshot
Photoemission spectroscopy and microscopy for Ta@Si 16 superatoms and their assembled layers
inferred← citeshttps://doi.org/10.1039/d4ra02396jopenalex-snapshot
Superalkali nature of the Si 9 M 5 (M = Li, Na, and K) Zintl clusters: a theoretical study on electronic structure and dynamic nonlinear optical properties
inferred← citeshttps://doi.org/10.1039/d5cp01989copenalex-snapshot
Embedding a guest gold cluster in an organic host. Evaluation of the encapsulation nature in a Au 18 –superphane host–guest aggregate
inferred← citeshttps://doi.org/10.1039/d5nj01342aopenalex-snapshot
On the structural evolution, magnetic modulation, and spectroscopic characteristics of cobalt phosphide clusters: a DFT investigation
inferred← citeshttps://doi.org/10.1039/d6cp01125jopenalex-snapshot
Vibrational spectroscopy, structure and bonding in the family of aluminium-doped niobium clusters, AlNb n + , n = 5–9
inferred← citeshttps://doi.org/10.1063/1.3035833openalex-snapshot
Formation of even-numbered hydrogen cluster cations in ultracold helium droplets
inferred← citeshttps://doi.org/10.1063/1.3254835openalex-snapshot
Low ionization potentials of binuclear superalkali B2Li11
inferred← citeshttps://doi.org/10.1063/1.3636082openalex-snapshot
Interpretation of the photoelectron spectra of superalkali species: Li3O and Li3O−
inferred← citeshttps://doi.org/10.1063/1.4728073openalex-snapshot
Interpretation of the photoelectron spectra of superalkali species: Na3O and Na3O−
inferred← citeshttps://doi.org/10.1063/1.4769282openalex-snapshot
Density-functional global optimization of (La2O3)n clusters
inferred← citeshttps://doi.org/10.1063/1.4967461openalex-snapshot
On the feasibility of designing hyperalkali cations using superalkali clusters as ligands
inferred← citeshttps://doi.org/10.1063/1.4982726openalex-snapshot
A quantum Monte Carlo study of the structural and electronic properties of small cationic and neutral lithium clusters
inferred← citeshttps://doi.org/10.1063/5.0062582openalex-snapshot
The superatomic state beyond conventional magic numbers: Ligated metal chalcogenide superatoms
inferred← citeshttps://doi.org/10.1073/pnas.1115307109openalex-snapshot
Atomically precise gold nanocrystal molecules with surface plasmon resonance
inferred← citeshttps://doi.org/10.1080/00268976.2013.875229openalex-snapshot
Hydrogen bonding involved with superhalogen MX2NY: its influence on the structure and stability of the superhalogen
inferred← citeshttps://doi.org/10.1080/00268976.2018.1459919openalex-snapshot
Characterisation of superalkaline-earth-metal halides, hydroxide and chalcogenides
inferred← citeshttps://doi.org/10.1080/00268976.2019.1642526openalex-snapshot
C/N/O centred metal clusters: super valence bonding and magic structure with 26 valence electrons
inferred← citeshttps://doi.org/10.1080/23746149.2023.2244541openalex-snapshot
External-field regulated superatoms
inferred← citeshttps://doi.org/10.1088/1361-6455/ab470copenalex-snapshot
The finding of transition-metal-doped binary superatoms: TM@Li 15
inferred← citeshttps://doi.org/10.1088/1674-1056/ab4274openalex-snapshot
Cluster structure prediction via CALYPSO method*
inferred← citeshttps://doi.org/10.1134/s003602441512002xopenalex-snapshot
CO oxidation catalyzed by Al n Pt (n = 1–11) clusters: A density functional theory simulations
inferred← citeshttps://doi.org/10.1134/s0036024422140291openalex-snapshot
Theoretical Study on Nonlinear Optical Properties of M3-Phenalenyl and M3O-Phenalenyl (M = Li, Na, K) Molecules
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