11 citations · 12 across the 4 of their papers we have counts for
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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…
cond-mat.mtrl-sci2004★ 1 cited
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
We have performed ab initio molecular dynamics simulations to study the nature of the synchronous double proton transfer in formic acid dimer. In order to understand the evolution…