CSIR-NCL Digital Repository https://hdl.handle.net/20.500.12252/7 Sat, 05 Sep 2026 12:31:05 GMT 2026-09-05T12:31:05Z Reactivity Through the Lens of Aromaticity: Computational Insights from Silicon, Germanium, and N-Heterocyclic Systems https://hdl.handle.net/20.500.12252/6491 Reactivity Through the Lens of Aromaticity: Computational Insights from Silicon, Germanium, and N-Heterocyclic Systems Sharma, Himanshu Mon, 01 Dec 2025 00:00:00 GMT https://hdl.handle.net/20.500.12252/6491 2025-12-01T00:00:00Z Interface Engineering Strategies to Suppress Polysulfide Shuttling in Lithium-Sulfur based Batteries https://hdl.handle.net/20.500.12252/6475 Interface Engineering Strategies to Suppress Polysulfide Shuttling in Lithium-Sulfur based Batteries Das, Anoushka K. Mon, 01 Dec 2025 00:00:00 GMT https://hdl.handle.net/20.500.12252/6475 2025-12-01T00:00:00Z Investigating Surface Reactivity in Heterogeneous Catalysis through DFT: Applications in Energy and Environmental Processes https://hdl.handle.net/20.500.12252/6474 Investigating Surface Reactivity in Heterogeneous Catalysis through DFT: Applications in Energy and Environmental Processes Bhati, Meema Fri, 01 May 2026 00:00:00 GMT https://hdl.handle.net/20.500.12252/6474 2026-05-01T00:00:00Z Tailoring C-O and C-H bond activation on various catalysts employing periodic density functional theory https://hdl.handle.net/20.500.12252/6473 Tailoring C-O and C-H bond activation on various catalysts employing periodic density functional theory Thakkar, Kavita Subhash Thu, 01 Aug 2024 00:00:00 GMT https://hdl.handle.net/20.500.12252/6473 2024-08-01T00:00:00Z