Browsing by Author "Singh, Vijay"
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Item Biological, electronic, NLO, NBO, TDDFT and vibrational analysis of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide(Iranian Research & Development Center for Chemical Industries) Pandey, Anoop Kumar; Mishra, Vijay Narayan; Singh, VijayItem Computational study of adsorption effects of Karanjin drug over carbon Nanotube (C56H16) as factor of drug delivery system: a quantum chemical approach(World Scientific) Pandey, Anoop Kumar; Singh, Vijay; Dwivedi, ApoorvaItem Exploration of superhalogen nature of Pt(CN)n complexes (n = 1–6) and their abilities to form supersalts and superacids: a DFT–D3 study(Springer) Rasheed, Tabish; Siddiqui, Shamoon Ahmad; Kargeti, Ankit; Shukla, Dharmesh Vikram; Singh, Vijay; Pandey, Anoop KumarItem Protonated MF– (M=Au, Ir, Os, Re, Ta, W) behave as superacids and are building blocks of new class of salt(Springer) Pandey, Anoop Kumar; Shukla, D. V.; Narayan, Vijay; Singh, Vijay; Dwivedi, ApoorvaItem Quantum chemical calculations of a novel Specie–Boron Nano Bucket (B16) and the interaction of its complex (B15-Li) with drug Resorcinol(IOS Press) Pandey, Anoop Kumar; Singh, Vijay; Dwivedi, Apoorva