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Browsing by Subject DFT
Showing results 1 to 5 of 5
| Issue Date | Title | Author(s) |
| 2023-06-05 | Exploring the structural, photophysical and optoelectronic properties of a diaryl heptanoid curcumin derivative and identification as a SARS-CoV-2 inhibitor | Archana, V P; Sanja, J A; Ismail, C; Bhagyasree, J B; Dinesh Babu, K V; Mithun, R; Divya, I S; Raveendran, R; Stevan, A |
| 2023 | Nitrogen-doped Fullerenes for CO2 Capture: A DFT Study | Anila, S; Suresh, C H |
| 2019-06-27 | Novel Aza-BODIPY Based Turn on Selective and Sensitive Probe for On-site Visual Detection of Bivalent Copper Ions | Gawale, Y; Mangalath, S; Adarsh, N; Joseph, J; Ramaiah, D; Sekar, N |
| 2011 | Role of stereoelectronic features of Imine and Enamine in (S)-proline catalyzed Mannich reaction of Acetaldehyde: An in silico study | Ajitha, M J; Suresh, C H |
| 2008 | Theoretical studies on the carcinogenicity of polycyclic aromatic hydrocarbons | Vijayalakshmi, K P; Suresh, C H |
