All Stories

  1. Molecular Electron Density Theory: A New Theoretical Outlook on Organic Chemistry
  2. Unravelling the mechanism of the ketene-imine Staudinger reaction. An ELF quantum topological analysis
  3. A bonding evolution theory study of the mechanism of [3+2] cycloaddition reactions of nitrones with electron-deficient ethylenes
  4. Understanding the high reactivity of carbonyl compounds towards nucleophilic carbenoid intermediates generated from carbene isocyanides
  5. Understanding the polar mechanism of the ene reaction. A DFT study
  6. A DFT study on the NHC catalysed Michael addition of enols to α,β-unsaturated acyl-azoliums. A base catalysed C–C bond-formation step
  7. The mechanism of ionic Diels–Alder reactions. A DFT study of the oxa-Povarov reaction
  8. A quantum chemical topological analysis of the C–C bond formation in organic reactions involving cationic species
  9. Understanding the mechanism of the Povarov reaction. A DFT study
  10. A new C–C bond formation model based on the quantum chemical topology of electron density
  11. Understanding the selectivity in the formation of δ-lactams vs. β-lactams in the Staudinger reactions of chloro-cyan-ketene with unsaturated imines. A DFT study
  12. Theoretical study on the molecular mechanism of the [5 + 2] vs. [4 + 2] cyclization mediated by Lewis acid in the quinone system
  13. Theoretical Studies on Domino Cycloaddition Reactions