All Stories

  1. When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO2 Nanoparticles in the 1–6 nm Size Range from All Electron Relativistic Density Functional Theory Based Calculations
  2. Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxides
  3. Effect of Size and Structure on the Ground-State and Excited-State Electronic Structure of TiO2Nanoparticles
  4. Mitochondria-Targeted Reaction-Based Fluorescent Probe for Hydrogen Sulfide
  5. Single oxygen vacancies of (TiO2)35as a prototype reduced nanoparticle: implication for photocatalytic activity
  6. Tandem generation of isocoumarins in hollow microporous organic networks: nitrophenol sensing based on visible light
  7. Performance of a modified hybrid functional in the simultaneous description of stoichiometric and reduced TiO2polymorphs
  8. Quantum chemical approaches for controlling and evaluating intramolecular magnetic interactions in organic diradicals
  9. Ferromagnetic Graphene Nanoribbons: Edge Termination with Organic Radicals
  10. Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals
  11. Simple but Useful Scheme toward Understanding of Intramolecular Magnetic Interactions: Benzene-Bridged Oxoverdazyl Diradicals
  12. Single Crystalline-Like TiO2Nanotube Fabrication with Dominant (001) Facets Using Poly(vinylpyrrolidone) for High Efficiency Solar Cells
  13. Organic Magnetic Diradicals (Radical–Coupler–Radical): Standardization of Couplers for Strong Ferromagnetism
  14. Microporous organic nanorods with electronic push–pull skeletons for visible light-induced hydrogen evolution from water
  15. Catalytic Mechanism for the Ruthenium-Complex-Catalyzed Synthesis of Amides from Alcohols and Amines: A DFT Study
  16. Tandem Synthesis of Photoactive Benzodifuran Moieties in the Formation of Microporous Organic Networks
  17. Scaling Approach for Intramolecular Magnetic Coupling Constants of Organic Diradicals
  18. Photocatalysis by Phenothiazine Dyes: Visible-Light-Driven Oxidative Coupling of Primary Amines at Ambient Temperature
  19. Coherent Nuclear Wave Packets Generated by Ultrafast Intramolecular Charge-Transfer Reaction
  20. Systematic Approach To Design Organic Magnetic Molecules: Strongly Coupled Diradicals with Ethylene Coupler
  21. Phenothiazine-based organic dyes with two anchoring groups on TiO2 for highly efficient visible light-induced water splitting
  22. Diazaphenalenyl-Containing Spin Sources Designed by Standardization of Intramolecular Magnetic Interactions
  23. Coumarin-Based Thiol Chemosensor: Synthesis, Turn-On Mechanism, and Its Biological Application
  24. KCN sensor: unique chromogenic and ‘turn-on’ fluorescent chemodosimeter: rapid response and high selectivity
  25. Rationally designed fluorescence ‘turn-on’ sensor for Cu2+
  26. Solvent effect on the excited-state proton transfer of 7-hydroxyquinoline along a hydrogen-bonded ethanol dimer
  27. Designed Synthesis of Multi-Electrochromic Systems Bearing Diaryl Ketone and Isophthalates
  28. Rationally Designed Fluorescence Turn-On Sensors: A New Design Strategy Based on Orbital Control
  29. Designed Synthesis of Ferrocenylanthraquinones and Their Bifunctional Electrochromic Properties
  30. Nonvolatile memory organic field effect transistor induced by the steric hindrance effects of organic molecules
  31. Reaction of Imidazoline-2-Selone with Acids and Its Use for Selective Coordination of Platinum Ions on Silica Surface
  32. Enhancement of Electrogenerated Chemiluminescence and Radical Stability by Peripheral Multidonors on Alkynylpyrene Derivatives
  33. Fluorescence turn-on sensors for HSO4−
  34. Conformational Barrier for Fullerene−Porphyrin−Fullerene Triad
  35. Molecular Design and Preparation of Bis-isophthalate Electrochromic Systems having Controllable Color and Bistability
  36. 5-Substituted isophthalate-based organic electrochromic materials