| S.No. | Publication | WebLink |
|
1
|
Exploring the structure and electronic properties of germanium doped boron clusters using density functional theory based global optimization method--Inter-National --
New Journal of Chemistry ( 02-03-2022 ) | |
|
2
|
Electrocatalytic nitrogen reduction directed through the p-band center of boron on BSAC@Mo2C--Inter-National --
Material Advances ( 09-11-2021 ) | |
|
3
|
Tantalum based single, double and triple atom catalysts supported on g-C2N monolayer for effective nitrogen reduction reaction: A comparative DFT investigation.--Inter-National --
Catal. Sci. Technol ( 12-11-2021 ) | |
|
4
| Influence of Charge and Ligand on the Finite Temperature Behavior of Gold Clusters: A BOMD Study on Au6 Cluster--Inter-National --Journal of Physical Chemistry C ( 16-09-2013 ) | |
|
5
| Enhanced interaction of molecular oxygen with amino acid complexes of silver and gold clusters--National --Indian Journal of Chemistry A ( 01-08-2014 ) | |
|
6
| Structure, Stability, and Properties of the Trans Peroxo Nitrate Radical: The Importance of Nondynamic Correlation--Inter-National --Journal of Physical Chemistry A ( 06-02-2014 ) | |
|
7
| Effect of Silicon Doping on the Reactivity and Catalytic Activity of Gold Clusters--Inter-National --Journal of Physical Chemistry C ( 18-03-2014 ) | |
|
8
| Hydrogen Atom Chemisorbed Gold Clusters as Highly Active Catalysts for Oxygen Activation and CO Oxidation--Inter-National --Journal of Physical Chemistry C ( 01-12-2014 ) | |
|
9
| Reactivity and catalytic activity of hydrogen atom chemisorbed silver clusters--Inter-National --Journal of Physical Chemistry A ( 19-05-2015 ) | |
|
10
| Endohedrally doped gold nanocages: efficient catalysts for O 2 activation and CO oxidation--Inter-National --Physical Chemistry Chemical Physics ( 23-11-2015 ) | |
|
11
| Contriving a Catalytically Active Structure from an Inert Conformation: A Density Functional Investigation of Al, Hf, and Ge Doping of Au20 Tetrahedral Clusters--Inter-National --Journal of Physical Chemistry C ( 23-08-2016 ) | |
|
12
| Molecular and Dissociative Adsorption of Oxygen on Au–Pd Bimetallic Clusters: Role of Composition and Spin State of the Cluster--Inter-National --ACS Omega ( 25-07-2019 ) | |
|
13
| Surface functionalization: an efficient alternative for promoting the catalytic activity of closed shell gold clusters--Inter-National --Physical Chemistry Chemical Physics ( 21-09-2020 ) | |
