Molecular structure, vibrational spectral assignments (FT-IR and FT-RAMAN), NMR, NBO, HOMO-LUMO and NLO properties of 2-nitroacetophenone based on DFT calculations
Experimental and theoretical investigation of Rosmarinus officinalis leaves extracts as the corrosion inhibitor for mild steel in H3PO4 solution; synergistic effect
Green synthesis of novel amino acid-coupled 1, 2, 4-triazoles derivatives using lemon juice as a green catalyst: Potential antiproliferative, antimicrobial, DFT computation and molecular docking analysis
Authors: G. Venkatesh; Khayala Mammadova; P. Vennila; J.N. Cheerlin Mishma; R. Premkumar; S. Kaya
New Phenoxazine-Based Organic Dyes with Various Acceptors for Dye-Sensitized Solar Cells: Synthesis, Characterization, DSSCs Fabrications and DFT Study