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physics.atm-clus2003
Why do gallium clusters have a higher melting point than the bulk?
S. Chacko, Kavita Joshi, D. G. Kanhere +1
Density functional molecular dynamical simulations have been performed on Ga and Ga clusters to understand the recently observed higher-than-bulk melting temperatures…
physics.atm-clus2003
Evolution in the structural and bonding properties of Aluminum-Lithium clusters
S. Chacko, D. G. Kanhere, V. V. Paranjape
We present a systematic study of the geometries, energetics, electronic structure and bonding in various Al-Li clusters viz. AlnLin (=1-11), Al, Al, AlLi, Al$…
physics.atm-clus2003
Ab initio density functional investigation of B_24 cluster: Rings, Tubes, Planes, and Cages
S. Chacko, D. G. Kanhere, I. Boustani
We investigate the equilibrium geometries and the systematics of bonding in various isomers of a 24-atom boron cluster using Born-Oppenheimer molecular dynamics within the framewor…