Diwaker

Ab initio studies of newly proposed zirconium based novel combinations of hydride perovskites ZrXH3 (X = Zn, Cd) as hydrogen storage applications

Anupam, Shyam L. Gupta, Sumit Kumar et al. · International Journal of Hydrogen Energy · 2023 · 59 citations

Materials Science, Inorganic Chemistry, Hydrogen Storage Applications +11

Predicting the magnetism, structural, thermodynamic and electronic properties of new co-based Heuslers: first principle perspective

Ashwani Kumar, Tarun Chandel, Diwaker et al. · The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics · 2020 · 28 citations

Magnetic Properties, Engineering, Magnetic Resonance +23

First-principle analysis of hydrogen storage potentials in vanadium hydride perovskites XVH3 (X = Li, K)

Anupam, Shyam L. Gupta, Sumit Kumar et al. · Journal of Energy Storage · 2024 · 25 citations

Materials Science, Engineering, Perovskite Solar Cell +8

Robust stability, half metallic Ferromagnetism and structural properties of Co2RhSi, and Co2RuSi Heusler compounds-A first principles approach

Ashwani Kumar, Tarun Chandel, Diwaker et al. · Materials Today Proceedings · 2022 · 22 citations

Materials Science, Magnetism, Ferromagnetism +10

Quantum mechanical and spectroscopic (FT-IR, 13C, 1H NMR and UV) investigations of 2-(5-(4-Chlorophenyl)-3-(pyridin-2-yl)-4,5-dihydropyrazol-1-yl)benzo[d]thiazole by DFT method

Diwaker · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 20 citations

Organic Chemistry, Molecule-based Material, Chemistry +1