All Stories

  1. Double Level Selection in a Constitutional Dynamic Library of Coordination Driven Supramolecular Polygons
  2. A theoretical study of the L3 pre-edge XAS in Cu(ii) complexes
  3. Simple, common but functional: biocompatible and luminescent rare-earth doped magnesium and calcium hydroxides from miniemulsion
  4. Inorganic chemistry in a nanoreactor: Au/TiO2 nanocomposites by photolysis of a single-source precursor in miniemulsion
  5. Electronic properties of CuPc and H2Pc: an experimental and theoretical study
  6. Electronic properties of tetrakis(pentafluorophenyl)porphyrin
  7. Miniemulsions as chemical nanoreactors for the room temperature synthesis of inorganic crystalline nanostructures: ZnO colloids
  8. Stability Study of a Magnesium β-Diketonate As Precursor for Chemical Vapor Deposition of MgO
  9. Fullerene/Porphyrin Multicomponent Nanostructures on Ag(110): From Supramolecular Self-Assembly to Extended Copolymers
  10. ChemInform Abstract: A Comparative Theoretical Investigation of Three Sodalite Systems: Cd4S(AlO2)6, Zn4O(BO2)6, and Zn4S(BO2)6.
  11. Stability of TiO2 Polymorphs: Exploring the Extreme Frontier of the Nanoscale
  12. XAS and GIXRD Study of Co Sites in CoAl2O4 Layers Grown by MOCVD
  13. Tetraphenylporphyrin electronic properties: a combined theoretical and experimental study of thin films deposited by SuMBD
  14. Hydroxylation of TiO2-B: insights from density functional calculations
  15. Structure and Stability of TiO2-B Surfaces: A Density Functional Study
  16. Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases
  17. First Principles Study of Hydrated/Hydroxylated TiO2 Nanolayers: From Isolated Sheets to Stacks and Tubes
  18. Stabilized Zirconia-Based Materials for Solid Oxide Fuel Cells (SOFC) obtained by MOCVD and Aerosol-CVD
  19. Carbonyl copper(i) complexes with hydrotris(1,2,4-triazolyl)borate, hydrotris(pyrazolyl)borate, and tris(pyrazolyl)methaneligands: a DFT study
  20. Ultrathin TiO2 Films on (1×2)-Pt(110): a LEED, Photoemission, STM, and Theoretical Investigation
  21. Density Functional Theory Study of the Binding Capability of Tris(pyrazol-1-yl)methane toward Cu(I) and Ag(I) Cations
  22. Ab initio modeling of TiO2 nanosheets
  23. An experimental and theoretical investigation of the molecular and electronic structure of 2-amino-4-chloro-6-pyrazolyl-[1,3,5]triazine, forming supramolecular linear tapes in the solid state
  24. A Theoretical Study of Amine Bonding in Titanium Alkoxide Adducts
  25. MgO and CaO stabilized ZrO2 thin films obtained by Metal Organic Chemical Vapor Deposition
  26. The Different Supramolecular Arrangements of the Triangular [Cu3(μ3-OH)(μ-pz)3]2+(pz = Pyrazolate) Secondary Building Units. Synthesis of a Coordination Polymer with Permanent Hexagonal Channels
  27. Chemistry of and on TiO2-anatase surfaces by DFT calculations: a partial review
  28. Bottom-Up Assembly of Single-Domain Titania Nanosheets on ( 1 × 2 ) − Pt ( 110 )
  29. First-Principles Studies of Vanadia−Titania Catalysts:  Beyond the Monolayer
  30. One-Dimensional and Two-Dimensional Coordination Polymers from Self-Assembling of Trinuclear Triangular Cu(II) Secondary Building Units
  31. First Principles Studies of Vanadia?Titania Monolayer Catalysts: Mechanisms of NO Selective Reduction
  32. Experimental and QM/MM investigation of the hydrated silica surface reactivity
  33. First Principles Studies of Vanadia−Titania Monolayer Catalysts:  Mechanisms of NO Selective Reduction
  34. A theoretical study of the interaction of CO2 with hydroxylated α-alumina
  35. A comparative study of the CO chemisorption on Ti2O3(102) and V2O3(102) non-polar surfaces
  36. Interstitial O3 in silica: a molecular cluster density functional study
  37. AlIII Ion Complexes of Saccharic Acid and Mucic Acid: A Solution and Solid-State Study
  38. MOCVD Growth and Characterization of Cobalt Phosphide Thin Films on InP Substrates
  39. A theoretical study of the electronic structure of O2 interstitial impurities in silica
  40. A theoretical study of the chemisorption of H2O and H2S on the Ti2O3(101̄2) non-polar surface
  41. Experimental and Theoretical Study of the Interaction of CO2 with α-Al2O3
  42. Further Insights into the Structure of [M(η2(C,C‘)-C3O2)(PPh3)2] (M = Ni, Pd, Pt) by Quasi-Relativistic Density Functional Calculations and Solid-State CP/MAS NMR
  43. A Comparative Theoretical Investigation of Three Sodalite Systems:  Cd4S(AlO2)6, Zn4O(BO2)6, and Zn4S(BO2)6
  44. UV-Photoelectron Spectra of [M(η3-C3H5)2] (M = Ni, Pd, Pt) Revisited:  A Quasi-Relativistic Density Functional Study
  45. Theoretical Study of the Chemisorption of CO on Al2O3(0001)
  46. Electronic spectroscopy of trivalent lanthanide ions in lead zinc borate glasses
  47. A theoretical investigation of the relaxation effects induced on the ZnO(101̄0) surface by the chemisorption of H2 and CO
  48. A theoretical study of the H2O and H2S chemisorption on Cu2O(111)
  49. A comparative study of the NH3 chemisorption on ZnO(101̄0) and Cu2O(111) non-polar surfaces
  50. Theoretical Investigation of the Chemisorption of H2and CO on the ZnO(101̄0) Surface
  51. Erratum to “A theoretical study of the CO and NO chemisorption on Cu2O(111)” [Surface Science 387 (1997) L1079]
  52. LCAO-LDA Study of the chemisorption of formate on Cu(110) and Ag(110) surfaces
  53. A comparative study of CO and NO chemisorption on Cu2O(111) and Ag2O(111) non-polar surfaces
  54. A theoretical study of the CO and NO chemisorption on Cu2O(111)
  55. An Experimental and Theoretical Study of the Electronic Structure of Zinc Thiophenolate-Capped Clusters
  56. An LCAO-LDF study of the chemisorption of H2O and H2S on ZnO(0001) and ZnO(101̄0)
  57. Ab Initio and Experimental Studies on the Structure and Relative Stability of the cis-Hydride−η2-Dihydrogen Complexes [{P(CH2CH2PPh2)3}M(H)(η2-H2)]+ (...
  58. A LCAO-LDF study of Br∅nsted acids chemisorption on ZnO(0001)
  59. Absorption and luminescence spectroscopy of Nd3+ and Er3+ in a zinc borate glass
  60. An experimental and theoretical study of the interaction of CH3OH and CH3SH with ZnO
  61. A theoretical investigation of Brønsted acids chemisorption on ZnO(0001)
  62. An angle-scanned photoelectron diffraction study on the surface relaxation of ZnO (0001)
  63. Coordination chemistry of CO and NH3 on CuCl(111): an experimental and theoretical study of the CO and NH3 bonding to a d10 ion
  64. A LCAO-LDF study of CO and NH3 chemisorption on ZnO(0001)
  65. A LCAO-LDF study of formate chemisorption on Cu(100)
  66. Zn4O(O2CNEt2)6: a further molecular model of ZnO
  67. Molecular-cluster model of the electronic structure of substitutional copper in zinc oxide
  68. The redox behaviour of ferrocene derivatives I. 1,2,3-Tritellura[3]ferrocenophane and 1,3-ditellura[3]ferrocenophanes
  69. Molecular cluster model of the electronic structure of substitutional impurities in gallium arsenide
  70. Theoretical, UV-PES, XPS, and Moessbauer investigation of the electronic structure of dinuclear metal carbonyl diimine complexes with a metallacyclopentadienyl system
  71. UV photoelectron spectra and electronic structure of 1,2-diosmacyclopropane and 1,2-diosmacyclobutane complexes
  72. An investigation of the electronic structure of bis(.eta.5-cyclopentadienyl) dicarbonyl complexes of titanium(II) and zirconium(II). Discrete variational X.alpha. calculation and gas-phase photoelectron spectroscopy
  73. Electronic structure of tetracoordinate transition-metal complexes. 2. Comparative theoretical ab initio/Hartree-Fock-Slater and UV-photoelectron spectroscopic studies of building blocks for low-dimensional conductors: glyoximate complexes of palladium...
  74. Efficient synthesis, redox characteristics, and electronic structure of a tetravalent tris(cyclopentadienyl)cerium alkoxide complex
  75. Ruthenium carbonyl 1,4-diaza-1,3-butadiene (R-DAB) complexes. A theoretical and experimental investigation of the electronic structure of Ru2(CO)4(R-DAB)(.mu.-CO) and Ru2(CO)4(R-DAB)(.mu.-HC.tplbond.CH)
  76. UV-PE spectra and DV-X.alpha. calculations of some phosphido-bridged dimers
  77. Experimental and theoretical studies of the bonding in CpCoS2N2
  78. UV photoelectron spectra and DV-X.alpha. calculations on diatomic rhodium formamidinate complexes
  79. DV-X.alpha. calculations, UV-PE spectra, and redox properties of nitrosyl-bridged binuclear cobalt complexes
  80. Electronic structure of nonacarbonylbis(.mu.3-fluoromethylidyne)triiron by means of UV photoelectron spectroscopy and DV-X.alpha. quantum-mechanical calculations
  81. UV photoelectron spectra and pseudopotential ab initio calculations on trans-dihalobis(triethylphosphine)platinum complexes (halo = chloro, bromo, iodo)
  82. Gas-phase UV photoelectron spectra of some edge-bridged decacarbonyltriosmium cluster
  83. Gas-phase ultraviolet photoelectron spectra of [{Ni(η-C5H5)}2(µ-C2R2)](R = H or CF3) complexes
  84. Theoretical and spectroscopic studies of (.mu.-butatriene)hexacarbonyldiiron compounds
  85. Gas-phase helium(He I) photoelectron spectra of methinyltricobalt enneacarbonyl clusters
  86. Electron structure of [{Ni(η5-C5H5)(µ-CO)}2] by He(I) and He(II) photoelectron spectroscopy
  87. On the conformational flexibility of model compounds of β-substituted α, β-unsaturated peptides
  88. UV photoelectron spectra of 5- and 6-azauracil
  89. Electronic structure of some methinyltricobalt enneacarbonyls by means of ultraviolet photoelectron spectroscopy
  90. Electronic structure of μ-methylene-bis-[dicarbonyl(η5-cyclopentadienyl)manganese] by UV photoelectron spectroscopy