All Stories

  1. Ultrasonic, spectrophotometric and theoretical studies of sigma and PI interactions of iodine with substituted benzene
  2. Pyrene Schiff Base: Photophysics, Aggregation Induced Emission, and Antimicrobial Properties
  3. High-valent manganese oxo complexes that activates C-H bond
  4. Mechanism and diastereoselectivity of arsenic ylide mediated cyclopropanation: a theoretical study
  5. On the kinetics and thermodynamics of S–X (X = H, CH3, SCH3, COCH3, and CN) cleavage in the formation of self-assembled monolayers of alkylthiols on Au(111)
  6. On the kinetics and thermodynamics of S–X (X = H, CH3, SCH3, COCH3, and CN) cleavage in the formation of self-assembled monolayers of alkylthiols on Au(111)
  7. A computational examination on the structure, spin-state energetics and spectroscopic parameters of high-valent FeIVNTs species
  8. Computational Insights into the Roles of Steric and Electrostatic Interactions in Arsenic Ylide Mediated Aziridination Reactions
  9. A combined experimental and computational study on the sulfoxidation by high-valent iron bispidine complexes
  10. Application of activation hardness in perturbed pericyclic reactions: a case study involving electrocyclic ring opening reactions of heterocyclobutenes
  11. Fluorine effect on pericyclic and pseudopericyclic processes: Evidences and ab initio theory
  12. Singlet methylene insertion into polar OH and NH bonds of water and ammonia-Ab initio and DFT study
  13. Harmonic analysis of vibrations of morpholine-4-ylmethylthiourea: A DFT, midinfrared and Raman spectral study