| Decoding the mechanism of formation & composition of Solid Electrolyte Interphase (SEI) in ionic liquids-based Li-Ion batteries by employing combined ab initio & All-atom molecular dynamics simulations | Chemical Sciences | 2019 | |
| Beyond born - Oppenheimer approaches on spectroscopy, reactive & surface scattering | Chemical Sciences | 2019 | |
| Ion exchange membranes from imidazole based polymers | Chemical Sciences | 2019 | |
| Tandem catalysis on acyclic & cyclic heteroatom stabilized singlet carbene transition metal platforms for constructing complex structural motifs | Chemical Sciences | 2019 | |
| Combating malaria by inhibiting the action of plasmepsin-V- Physico-chemical insights | Chemical Sciences | 2019 | |
| Decoding the mechanism of photochemical & electrochemical splitting of water & CO2 reduction using theoretical approaches | Chemical Sciences | 2019 | |
| Selective adsorption & superprotonic conduction properties by hydrolytically and/or moisture stable porous coordination networks | Chemical Sciences | 2019 | |
| Investigating asymmetric mixed surfactant bilayers using dual scale simulations to correlate bilayer properties with thermodynamics of asymmetry | Chemical Sciences | 2019 | |
| Molecular basis of structural/conformational change of protein, membranes & DNA damage induced by fungicides- Investigation by state of art vibrational sum frequency generation & other spectroscopic techniques | Chemical Sciences | 2019 | |
| Investigating the correlation between thermodynamic & kinetic parameters through Density Functional Reactivity Theory (DFRT) based approach | Chemical Sciences | 2019 | |