Abeldyn- Development of an Ab-initio electronic dynamics (Abeldyn) package for molecular properties in the presence of time varying strong fields in multiple time scale | Chemical Sciences | 2020 | 2021 |
Computational modeling of novel polyphenolic antioxidant molecules as potential drug | Chemical Sciences | 2020 | 2021 |
Designing the new potential catalysts using high throughput Dft & machine leaning techniques | Chemical Sciences | 2020 | 2021 |
Harvesting triplet excitons in organic fluorophores via reverse intersystem crossing for improving solid state fluorescence efficieny & device performance | Chemical Sciences | 2020 | 2021 |
Synthesis, crystal structures, magnetic & transport properties of the ternary intermetallic phases in Mn-Zn-X (X=Ni,Co,Fe) system | Chemical Sciences | 2020 | 2021 |
Design of biomimetic materials with strain-stiffening characteristics for implication in cellular response | Chemical Sciences | 2020 | 2021 |
Metal complexes of macrocyclic/arcyclic ligands as T1 & paracest-based contrast agents for Mri | Chemical Sciences | 2020 | 2021 |
Probing the role of dual-membrane cell wall in gram-negative bacterial survival & drug-resistance development under stressful conditions using nonlinear spectroscopy | Chemical Sciences | 2020 | 2021 |
Investigation on metal-free approaches towards C-C & C-Heteroatom bond formation for the synthesis of carbocycles & heterocycles | Chemical Sciences | 2020 | 2021 |
Bicyclic (Alkyl) (Amino) carbene as ligand to supported low valent complexes from main group & transition elements & applications thereof in catalysis | Chemical Sciences | 2020 | 2021 |