All Stories

  1. Cyanobacterial Biomass Pigments as Natural Sensitizer for TiO2 Thin Films
  2. Study of the Molecular Properties of Mono- and Binuclear Metal s-Indacenyl Complexes with Ir, Rh, and Re: A Theoretical Approach
  3. Substituted phenylhydrazono derivatives of curcumin as new ligands, a theoretical study
  4. New 3,4,5-trisubstituted isoxazole derivatives with potential biological properties
  5. Photophysics of tungsten–benzylidyne complexes derived from s-indacene: synthesis, characterization and DFT studies
  6. Synthesis, characterization and DFT study of a new family of pyrazole derivatives
  7. Direct Spectroscopic Evidence for Constituent Heteroatoms Enhancing Charge Recombination at a TiO 2 −Ruthenium Dye Interface
  8. Novel mono- and heterobimetallic chromium−nickel s-indacene complexes: synthesis, characterization, and DFT studies
  9. Intramolecular and Lateral Intermolecular Hole Transfer at the Sensitized TiO 2 Interface
  10. Role of the main adsorption modes in the interaction of the dye [COOH–TPP-Zn(ii)] on a periodic TiO2 slab exposing a rutile (110) surface in a dye-sentized solar cell
  11. Charge transport modeling in bisphenazine derivative dimers as discotic liquid crystals: a TDDFT study
  12. SYNTHESIS, CHARACTERIZATION AND COMPUTATIONAL STUDIES OF SCHIFF BASE.
  13. Effect over the electronic structure by changing the core metals from Mo to W in a family of [Mo6−nWnCl8F6]2− (n=0–6) clusters
  14. Substituents effect on the electronic structure and molecular properties of bis[organohydrazido(2−)] molybdenum(VI) complexes
  15. Correction to “Theoretical Study of Sensitizer Candidates for Dye-Sensitized Solar Cells: Peripheral Substituted Dizinc Pyrazinoporphyrazine–Phthalocyanine Complexes”
  16. Molecular properties of two related families of substituted [Ru(2,2′:6′,2″-Terpyridine)2]2+ for application as sensitizers in dye-sensitized solar cells
  17. A molecular study of tetrakis(p -methoxyphenyl)porphyrin and its Zn(II) complex as discotic liquid crystals
  18. A family of octahedral molybdenum cluster complexes [Mo6Cl8(H2O)n(OH)6−n]n−2 with n=0–6 as a pH-sensors: A theoretical study
  19. Effects of the peripheral substituents (–NH2, –OH, –CH3, –H, –C6H5, –Cl, –CO2H and –NO2) on molecular properties of a Ni-Porphyrazine dimers family
  20. Theoretical Study of Sensitizer Candidates for Dye-Sensitized Solar Cells: Peripheral Substituted Dizinc Pyrazinoporphyrazine–Phthalocyanine Complexes
  21. Quantum Dynamical Simulations as a Tool for Predicting Photoinjection Mechanisms in Dye-Sensitized TiO 2 Solar Cells
  22. The aromaticity of the [Re3(μ-X)3X9]3− clusters, X=Cl, Br, I
  23. Substituents Effects on Two Related Families of Dyes for Dye Sensitized Solar Cells: [Ru(4,4′-R,R-2,2′-bpy) 3 ] 2+ and [Ru(4,4′-COOH-2,2′-bpy)(4,4′-R,R-2,2′-bpy) 2 ] 2+
  24. Electronic structure and molecular properties of paramagnetic hexanuclear Tantalum [Ta6X12Y6]3− (X and Y=F, Cl, Br, I) cluster compounds
  25. Photophysical properties of [Cu(binap)2]+ and [Pd(binap)2] complexes: A theoretical study
  26. Interrogation of electrocatalytic water oxidation mediated by a cobalt complex
  27. Regioselective C–H Activation of Cyclometalated Bis-Tridentate Ruthenium Complexes
  28. Inside Cover: A Trisheteroleptic Cyclometalated RuII Sensitizer that Enables High Power Output in a Dye-Sensitized Solar Cell (Angew. Chem. Int. Ed. 45/2011)
  29. A Trisheteroleptic Cyclometalated RuII Sensitizer that Enables High Power Output in a Dye-Sensitized Solar Cell
  30. A Trisheteroleptic Cyclometalated RuII Sensitizer that Enables High Power Output in a Dye-Sensitized Solar Cell
  31. Systematic Modulation of a Bichromic Cyclometalated Ruthenium(II) Scaffold Bearing a Redox-Active Triphenylamine Constituent
  32. Relativistic scalar and spin–orbit density functional calculations of the electronic structure, NICS index and ELF function of the [Re2(CO)8(μ-BiPh)2] and [Re2(CO)8(μ-BiPh2)2] clusters
  33. A DFT/TDDFT study of porphyrazines and phthalocyanine oxo-titanium derivatives as potential dyes in solar cells
  34. ADSORPTION ESSAYS OF PALLADIUM IN MODIFIED SILICA GEL WITH THIOURONIUM GROUPS
  35. DFT study on the electronic structure, energetics and spectral properties of several bis(organohydrazido(2-)) molybdenum complexes containing substituted phosphines and chloro atoms as ancillary ligands
  36. FACILE SYNTHESIS OF ISOXAZOLES AND PYRAZOLES FROM ß-DIKETOHYDRAZONES
  37. Synthesis, characterization and properties of polymers containing simultaneously the imine and amide moieties.
  38. Reactivity of [Mo(NHNRPh)(NNRPh)(acac)X2] (R=Ph, Me; X=Br, I) toward tertiary phosphines
  39. Reactivity of organohydrazidomolybdenum(VI) complexes toward tertiary phosphines
  40. 3,5-Dimethyl-1-(4-nitrophenyl)-4-[(E)-(2,3,4,5,6-pentafluorophenyl)diazenyl]-1H-pyrazole
  41. Bis[2-(2,4-dioxopentan-3-ylidene-κO)-1-(4-methoxyphenyl)hydrazinato-κN 1]copper(II)
  42. Tautomeric, spectroscopic, DFT calculations and X-ray studies on O2N-4-C6H4–NHNC(COCH3)2
  43. Intramolecular π–π stacking and bromine interactions in (2,2′-bipyridine-κ2N,N′)dibromo-cis-bis[1,1-diphenylhydrazido(2−)]molybdenum(VI)
  44. 4-{3,5-Dimethyl-4-[(E)-(4-methylphenyl)diazenyl]-1H-pyrazol-1-yl}benzonitrile
  45. Double π–π stacking in 2-[(E)-(3,5-dimethylisoxazol-4-yl)diazenyl]benzoic acid