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

Does the 18-Electron Rule Apply to CrSi12?

(2014) Marissa Baddick Abreu et al.   Journal of Physical Chemistry Letters

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

(2014) Ravi Trivedi et al.   RSC Advances

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

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

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

Stable T2Sin (T=Fe,Co,Ni,1≤n≤8) cluster motifs

(2009) R. Robles et al.   JOURNAL OF CHEMICAL PHYSICS

Clusters, Superatoms, and Building Blocks of New Materials

(2009) A. W. Castleman 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

Character of electronic states in graphene antidot lattices: Flat bands and spatial localization

(2009) Mihajlo Vanević et al.   PHYSICAL REVIEW B

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

Structures and energetics of silicon nanotubes from molecular dynamics and density functional theory

(2008) Amritanshu Palaria et al.   PHYSICAL REVIEW B

Density-functional investigation of metal-silicon cage clustersMSin(M=Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn;n=8–16)

(2008) Ling-ju Guo et al.   PHYSICAL REVIEW B

Structure and thermophysical properties of single-wall Si nanotubes

(2007) Xinwei Wang et al.   PHYSICA B-CONDENSED MATTER