papers
Publications (5)
cond-mat.mtrl-sci2006
A Comparative Study of Structural, Acidic and Hydrophobic properties of Sn-BEA with Ti--BEA using Periodic Density Functional Theory
Sharan Shetty, D. G. Kanhere, Sourav Pal +1
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
cond-mat.mtrl-sci2004
A quantitative and a qualitative study of the resonance assisted double proton transfer in formic acid dimer
Sharan Shetty, Sourav Pal, Dilip G. Kanhere +1
cond-mat.mtrl-sci2005
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
cond-mat.mtrl-sci2003
Metallo-Anti-aromatic Al4Na4 and Al4Na3- compounds: A theoretical investigation
Sharan Shetty, Dilip. G. Kanhere, Sourav Pal