All Stories

  1. Factors influencing the catalytic oxidation of benzyl alcohol using supported phosphine-capped gold nanoparticles
  2. The effect of counter ions on the far-infrared spectra of tris(triphenylphosphinegold)oxonium dimer salts
  3. Phosphine-stabilised Au9clusters interacting with titania and silica surfaces: The first evidence for the density of states signature of the support-immobilised cluster
  4. Identification of the Vibrational Modes in the Far-Infrared Spectra of Ruthenium Carbonyl Clusters and the Effect of Gold Substitution
  5. Influence of Cationic Surfactants on the Formation and Surface Oxidation States of Gold Nanoparticles Produced via Laser Ablation
  6. Spectroscopic observation of gold-dicarbide: Photodetachment and velocity map imaging of the AuC2 anion
  7. Chemically-synthesised, atomically-precise gold clusters deposited and activated on titania
  8. Chemically synthesised atomically precise gold clusters deposited and activated on titania. Part II
  9. Far-infrared absorption spectra of synthetically-prepared, ligated metal clusters with Au6, Au8, Au9 and Au6Pd metal cores
  10. Facile Decarboxylation of Propiolic Acid on a Ruthenium Center and Related Chemistry
  11. Reactions of Nb2 and Nb3 with CO, D2, N2, and O2: Reconciling experimental kinetics with density functional theory-calculated reaction profiles
  12. Molecular Structure of 3-Aminopropyltriethoxysilane Layers Formed on Silanol-Terminated Silicon Surfaces
  13. Influence of Surfactant Concentration on Laser-Based Gold Nanoparticle Formation and Stability
  14. Photoreduction Kinetics of Sodium Tetrachloroaurate under Synchrotron Soft X-ray Exposure
  15. A Density Functional Theory Investigation of the Bimetallic Clusters Nb2Rh and NbRh2 and the Complexes They Form with CO
  16. Laser-Based Formation and Properties of Gold Nanoparticles in Aqueous Solution: Formation Kinetics and Surfactant-Modified Particle Size Distributions †
  17. Density functional theory investigation of Cu(I)- and Cu(II)-curcumin complexes
  18. Onset of Carbon−Carbon Bonding in Ta 5 C y ( y = 0−6) Clusters: A Threshold Photoionization and Density Functional Theory Study
  19. Excited states of Nb3N2 and Nb3C2: Density functional theory, CASSCF, and MRCI studies
  20. Photoionization efficiency spectroscopy and density functional theory investigations of RhHo2On (n=0–2) clusters
  21. Kick: Constraining a stochastic search procedure with molecular fragments
  22. Onset of carbon–carbon bonding in the Nb5Cy(y = 0–6) clusters: a threshold photo-ionisation and density functional theory study
  23. Regioselective control of the nickel-mediated coupling of acetylene and carbon dioxide – A DFT study
  24. The Optical Spectrum of a Large Isolated Polycyclic Aromatic Hydrocarbon: Hexa- peri -hexabenzocoronene, C 42 H 18
  25. Threshold Photoionization and Density Functional Theory Studies of the Niobium Carbide Clusters Nb 3 C n ( n = 1−4) and Nb 4 C n ( n = 1−6)
  26. Associative versus dissociative binding of CO to 4d transition metal trimers: A density functional study
  27. Computational Study of CO Reactivity with Nb 3 X Heteronuclear Clusters
  28. Production of Acrylic Acid through Nickel-Mediated Coupling of Ethylene and Carbon DioxideA DFT Study
  29. BFW:  A Density Functional for Transition Metal Clusters
  30. Rotational Energy Distributions of Benzene Liberated from Aqueous Liquid Microjets: A Comparison between Evaporation and Infrared Desorption
  31. Ionization Potentials of Tantalum−Carbide Clusters:  An Experimental and Density Functional Theory Study
  32. DFT Calculations on Group 5 Mixed Metal Tetramers: TaxNbyVz (x + y + z = 4).
  33. The lowest-lying excited singlet and triplet electronic states of propanal: an ab initio molecular orbital investigation of the potential energy surfaces
  34. DFT Calculations on Group 5 Mixed Metal Tetramers: Ta x Nb y V z ( x + y + z = 4)
  35. Infrared Laser Desorption of Hydroquinone from a Water−Ethanol Liquid Beam
  36. Ultraviolet Laser Irradiation of Low Concentration Liquid Microjets: Solute Evaporation and Solvent Initiated Reactivity
  37. Near Threshold Photochemistry of Propanal. Barrier Height, Transition State Structure, and Product State Distributions for the HCO Channel
  38. Time-of-flight mass spectrometric detection of mono- and di-substituted benzenes at parts per million concentrations by way of liquid microjet injection and laser ionisation
  39. Reaction Pathways of Singlet Silylene and Singlet Germylene with Water, Methanol, Ethanol, Dimethyl Ether, and Trifluoromethanol:  An ab Initio Molecular Orbital Study
  40. Ab initio calculations on excited states of VCH
  41. Neutral Tantalum−Carbide Clusters:  A Multiphoton Ionization and Density Functional Theory Study
  42. Photodissociation dynamics of the reaction CF2Br2+hν→CF2+ 2Br. Energetics, threshold and nascent CF2 energy distributions for λ=223–260 nm
  43. HCO (N,Ka,Kc,J) distributions from near-threshold photolysis of H2CO (J,Ka,Kc)
  44. Determination of the molecular structure of diacetylene from high-resolution FTIR spectroscopy