Computational Chemistry
Gold Nano Clusters
Bhabha Atomic Research Centre, Mumba
Effect of nano-confinement on the structure and properties of water clusters: An ab initio study
Theoretical study of Au8O2, Au8O2 + and Au8O2 - nanoclusters
Theoretical Study of Xenon-Noble Metal Interaction in MXeM’ and XeMM’ Molecular Species (M & M’ = Cu, Ag, Au)
Comparative Study by TOPSIS Method for the Solvent Effect in the Oxidation of Benzaldehyde