37 citations · 56 across the 5 of their papers we have counts for
Showing 2005Show all
2 papers · 1 filter
cond-mat.mtrl-sci2005★ 18 cited
Inter-cluster reactivity of Metallo-aromatic and anti-aromatic Compounds and Their Applications in Molecular Electronics: A Theoretical Investigation
Sharan Shetty, Rahul Kar, Dilip G. Kanhere +1
Local reactivity descriptors such as the condensed local softness and Fukui function have been employed to investigate the inter-cluster reactivity of the metallo-aromatic (Al4Li-…
cond-mat.mtrl-sci2005
Structural, electronic and bonding properties of zeolite Sn-Beta: A periodic density functional theory study
Sharan Shetty, Sourav Pal, Dilip G. Kanhere +1
The structural, electronic and the bonding properties of the Sn-BEA are investigated by using the periodic density functional theory. Each of the 9 different T-sites in the BEA wer…