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  1. Study of the influence of functionalization on the reorganization energy of naphthalene using DFT
  2. Conformational and Vibrational Analysis of 2-, 3- and 4-Pyridinecarbonyl Chloride Using DFT
  3. Analyzing Interaction Energy of Polycyclic Aromatic Hydrocarbons (PAH) Dimers
  4. Isolated and deposited potassium clusters: Energetic and structural properties
  5. A DFT study of the properties of substituted pyrrolidines and phospholanes in gas and in aqueous phase
  6. Theoretical Study of the Effects of Solvation, Substitution, and Structure on the Properties of Imidazolines, Oxazolines, and Thiazolines