Core-Shell Magnetic Nanoclusters

Ab Initio Study of Structural and Magnetic Properties of TM_n(ferrocene)_n  +1 (TM = Sc, Ti, V, Mn) Sandwich Clusters and Nanowires (n = ∞)

Theoretical Studies on Structural, Magnetic, and Spintronic Characteristics of Sandwiched Eu_nCOT_n+1 (n = 1−4) Clusters

Hydrogen Storage on Metal-Coated B₈₀ Buckyballs with Density Functional Theory

Edge-Passivation Induced Half-Metallicity of Zigzag Zinc Oxide Nanoribbons

Ab Initio Study of the Structure and Magnetism of Atomic Oxygen Adsorbed Sc_n (n = 2-14) Clusters

Ab Initio Study of Structural, Electronic, and Magnetic Properties of Transition Metal-Borazine Molecular Wires

Gold Nanotube Encapsulation Enhanced Magnetic Properties of Transition Metal Monoatomic Chains: An Ab Initio Study

Ab Initio Study of Structural, Electronic, and Magnetic Properties of V_n(C₆₀)_m complexes

Structural, Electronic, and Magnetic Properties of TMZn₁₁O₁₂ and TM₂Zn₁₀O₁₂ Clusters (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu)

Structural and Magnetic Properties of Bimetallic Co_n−1Cr Clusters with Density Functional Theory

Density Functional Theory Studies of Inorganic Metallocene Multidecker V_n(P₆)_n+1 (n = 1-4) Sandwich Clusters

Density Functional Study of CO Adsorption on Sc_n (n = 2-13) Clusters

Size- and Shape-Dependent Polarizabilities of Sandwich and Rice-Ball Co_nBz_m Clusters from Density Functional Theory

Structural, Electronic, and Magnetic Properties of Co_n(benzene)_m Complexes

Ab Initio Study of Magnetic Properties of Bimetallic Co_n-1Mn and Co_n-1V Clusters

Density Functional Theory Study of Cationic Group VI Transition Metal–Benzene Clusters

Gold-Coated Transition-Metal Anion [Mn₁₃@Au₂₀]^- with Ultrahigh Magnetic Moment

Structural, Electronic, and Magnetic Properties of Sc_n (n = 2-18) Clusters from Density Functional Calculations

Static Polarizabilities and Optical Absorption Spectra of Gold Clusters (Au_n, n = 2–14 and 20) from First Principles

Dipole Polarizabilities of Medium-Sized Gold Clusters

Density-Functional Study of Small and Medium-Sized As_n Clusters up to n = 28

Structural Evolution of Anionic Silicon Clusters Si_N (20≤N≤45)

Structural, Electronic, and Optical Properties of Noble Metal Clusters from First Principles

Hollow Cages versus Space-Filling Structures for Medium-Sized Gold Clusters: The Spherical Aromaticity of the Au₅₀ Cage

Optimally Stuffed Fullerene Structures of Silicon Nanoclusters

Infrared Spectra of V_nBz_n+1 SandwichClusters: A Theoretical Study of Size Evolution

Structure and Magnetism of VnBzn+1 Sandwich Clusters

How Does the Nickel Nanowire Melt?

Stuffed Fullerene Structures for Medium-Sized Silicon Clusters

Structure and Electronic Property of Si_n (n = 20-40 and 45) clusters

Endohedral Silicon Fullerenes Si_N (27≤N≤39)

Local Atomic Structures of Palladium Nanowire

Melting Behavior of One-Dimensional Zirconium Nanowire

Evidence of a Melt Like Supercooled Liquid During a Solid to Liquid Transition of Titanium Nanowire

Nonmetal-Metal Transition in Zn_n (n = 2-20) Clusters

Dipole Polarizabilities of Germanium Clusters

Structures and Electronic Properties of Cu₂₀, Ag₂₀, and Au₂₀ Clusters with Density Functional Method

Density-Functional Study of Au_n (n = 2-20) Clusters: Lowest-Energy Structures and Electronic Properties

Melting Behavior in Ultrathin Metallic Nanowires

Structure and Magnetic Properties of Co-Cu Bimetallic Clusters

Elastic Deformation and Stability in Pentagonal Nanorods with Multiple Twin Boundaries

Structures and Electronic Properties of Ge_n (n = 2-25) Clusters from Density Functional Theory

Structural Transition of Si Clusters and Their Thermodynamics

Density Functional Study of Beryllium Clusters, with Gradient Correction

Thermal Properties of Medium-Sized Ge Clusters

Thermal Behavior of Cu-Co Bimetallic Clusters

Structural Studies of Clusters in Melt of FeAl Compound

Formation and Stability of Large B₆O Clusters with Isosahedral Structure

Molecular Dynamics Computation of Clusters in Liquid Fe-Al Alloy

Geometric and Electronic Properties of Titanium Clusters Studied by Ultrasoft Pseudopotential

The Stability of Icosahedral Cluster and the Range of Interaction Potential

The Bond Length Deformation and the Elastic Structure in Icosahedral Clusters

A Transferable Nonorthogonal Tight-Binding Model of Germanium: Application to Small Clusters

Spatiotemporal Chaos Synchronization by Active-Occassional Coupling

Synchronizing Spatiotemporal Chaos in Coupled Map Lattices via Active-Passive Decomposition