Evolution of electronic and vibrational properties of M@Xn (M = Ag, Au, X = Ge, Si, n = 10, 12, 14) clusters: a density functional modeling

Magnetism, structures and stabilities of cluster assembled TM@Si nanotubes (TM = Cr, Mn and Fe): a density functional study

(2016) Kapil Dhaka et al.   DALTON TRANSACTIONS

Probing the structural evolution of ruthenium doped germanium clusters: Photoelectron spectroscopy and density functional theory calculations

(2016) Yuanyuan Jin et al.   Scientific Reports

Hydrogen storage in small size MgnCo clusters: A density functional study

(2015) Ravi Trivedi et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Theoretical investigation on the geometries and electronic properties of cesium–silicon CsSi n (n = 2–12) clusters

(2015) Chang-Geng Luo et al.   STRUCTURAL CHEMISTRY

The Geometric Structure of Silver-Doped Silicon Clusters

(2014) Yejun Li et al.   CHEMPHYSCHEM

Structural and Magnetic Properties of CoGen−(n=2-11) Clusters: Photoelectron Spectroscopy and Density Functional Calculations

(2014) Xiao-Jiao Deng et al.   CHEMPHYSCHEM

Optical Properties and Quasiparticle Band Gaps of Transition-Metal Atoms Encapsulated by Silicon Cages

(2014) M. I. A. Oliveira et al.   Journal of Physical Chemistry C

Study of electronic properties, stabilities and magnetic quenching of molybdenum-doped germanium clusters: a density functional investigation

(2014) Ravi Trivedi et al.   RSC Advances

Photoelectron spectroscopy and density functional calculations of AgSin− (n = 3–12) clusters

(2013) Xiang-Yu Kong et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic, magnetic and optical properties of Cu, Ag, Au-doped Si clusters

(2013) Wenqiang Ma et al.   JOURNAL OF MOLECULAR MODELING

Growth behavior, electronic structure, and vibrational properties of SinY anion clusters (n=4–20): Metal atom as linker and endohedral dopant

(2013) S. Jaiswal et al.   PHYSICAL REVIEW B

Size-selective effects in the geometry and electronic property of bimetallic Au–Ge nanoclusters

(2013) Xiaojun Li et al.   Computational and Theoretical Chemistry

Architectures, electronic structures, and stabilities of Cu-doped Ge n clusters: density functional modeling

(2012) Debashis Bandyopadhyay   JOURNAL OF MOLECULAR MODELING

Electronic structure and stabilities of Ni-doped germanium nanoclusters: a density functional modeling study

(2012) Kapil Dhaka et al.   JOURNAL OF MOLECULAR MODELING

Anion photoelectron spectroscopy of germanium and tin clusters containing a transition- or lanthanide-metal atom; MGen− (n = 8–20) and MSnn− (n = 15–17) (M = Sc–V, Y–Nb, and Lu–Ta)

(2012) Junko Atobe et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Pharmacological Activity of (R)-(+)-Pulegone, a Chemical Constituent of Essential Oils

(2012) D. P. d. Sousa et al.   ZEITSCHRIFT FUR NATURFORSCHUNG SECTION C-A JOURNAL OF BIOSCIENCES

A Stochastic Search for the Structures of Small Germanium Clusters and Their Anions: Enhanced Stability by Spherical Aromaticity of the Ge10and Ge122−Systems

(2011) Truong Ba Tai et al.   Journal of Chemical Theory and Computation

Architecture, electronic structure and stability of TM@Ge(n) (TM = Ti, Zr and Hf; n = 1-20) clusters: a density functional modeling

(2011) Manish Kumar et al.   JOURNAL OF MOLECULAR MODELING

Study of geometries and electronic properties of AgSin clusters using DFT/TB

(2010) D. H. Ziella et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Density Functional Investigation of Structure and Stability of Genand GenNi (n= 1−20) Clusters: Validity of the Electron Counting Rule

(2010) Debashis Bandyopadhyay et al.   JOURNAL OF PHYSICAL CHEMISTRY A

New Insights into Applicability of Electron-Counting Rules in Transition Metal Encapsulating Ge Cage Clusters

(2010) Debashis Bandyopadhyay et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A systematic search for minimum structures of small gold clusters Au[sub n] (n=2–20) and their electronic properties

(2009) Behnam Assadollahzadeh et al.   JOURNAL OF CHEMICAL PHYSICS

Geometries, stabilities, and magnetic properties of MnGen (n=2–16) clusters: Density-functional theory investigations

(2009) Wen-Jie Zhao et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Tuning Magnetic Moments by 3d Transition-Metal-Doped Au6 Clusters

(2009) Meng Zhang et al.   Journal of Physical Chemistry C

The study of the electronic structures and properties of pure and transition metal-doped silicon nanoclusters: a density functional theory approach

(2009) Debashis Bandyopadhyay   MOLECULAR SIMULATION

Study of pure and doped hydrogenated germanium cages: a density functional investigation

(2009) Debashis Bandyopadhyay   NANOTECHNOLOGY

Structure, stability and electronic property of the gold-doped germanium clusters: AuGe n (n = 2–13)

(2009) Xiao-Jun Li et al.   THEORETICAL CHEMISTRY ACCOUNTS

The electronic structures and properties of transition metal-doped silicon nanoclusters: A density functional investigation

(2008) Debashis Bandyopadhyay et al.   CHEMICAL PHYSICS

A density functional theory–based study of the electronic structures and properties of cage like metal doped silicon clusters

(2008) Debashis Bandyopadhyay   JOURNAL OF APPLIED PHYSICS