All Stories

  1. Thermal desorption kinetics and framework evolution in VOC-loaded FAU-Type zeolite Y: An in situ XRPD study
  2. Direct Solvent‐Free Amide Bond Formation Catalyzed by Anatase‐TiO2 Surface: Insight from Modeling
  3. Impact of –OH surface defects on the electronic and structural properties of nickel oxide thin films
  4. Mechanistic insights into water-stabilized dye-neurotransmitter intermolecular complexes in zeolite channels
  5. Plasma-assisted fabrication of NiO nanoarchitectures: from design to oxygen evolution electrocatalysis
  6. Direct Solvent‐Free Amide Bond Formation Catalyzed by Anatase‐TiO2 Surface: Insight from Modeling
  7. On the Fragmentation of Ni(II) β-Diketonate-Diamine Complexes as Molecular Precursors for NiO Films: A Theoretical and Experimental Investigation
  8. On the Fragmentation of Ni(II) β-Diketonate- Diamine Complexes as Molecular Precursors for NiO Films: A Theoretical and Experimental Investigation
  9. Growth of NiO Thin Films in the Presence of Water Vapor: Insights from Experiments and Theory
  10. Location of Brønsted sites in deuterated L-zeolite: A combined neutron powder diffraction and computer modeling study
  11. Energy Transfer from Magnetic Iron Oxide Nanoparticles: Implications for Magnetic Hyperthermia
  12. Interplay between coordination sphere engineering and properties of nickel diketonate–diamine complexes as vapor phase precursors for the growth of NiO thin films
  13. A versatile Fe(II) diketonate diamine adduct: Preparation, characterization and validation in the chemical vapor deposition of iron oxide nanomaterials
  14. Chemically Induced Mismatch of Rings and Stations in [3]Rotaxanes
  15. The Early Steps of Molecule-to-Material Conversion in Chemical Vapor Deposition (CVD): A Case Study
  16. The Early Steps of Molecule-to-Material Conversion in Chemical Vapor Deposition (CVD): A Case Study
  17. A molecular view on sunscreen
  18. A Post-HF Approach to the Sunscreen Octyl Methoxycinnamate
  19. The Early Steps of Molecule-to-Material Conversion in Chemical Vapor Deposition (CVD): A Case Study
  20. A Post-HF Approach to the Sunscreen Octyl Methoxycinnamate
  21. Precision Molecular Threading/Dethreading
  22. Refining molecular machines
  23. Polymerization in zeolite pores
  24. CP2K: An electronic structure and molecular dynamics software package
  25. Steering Polymer Growth by Molding Nanochannels: 1,5-Hexadiene Polymerization in High Silica Mordenite
  26. Nanoarchitectures for ethanol electrochemical valorization
  27. Straight bond angles in zeolite ferrierite
  28. Proton sharing on titanium dioxide surfaces
  29. Proton sharing on titanium dioxide surfaces
  30. Proton sharing on titanium dioxide surfaces
  31. Proton sharing on titanium dioxide surfaces
  32. High Pressure Dehydration of Water-Ethanol Solution
  33. Efficient sensors for chemical warfare agents
  34. Protein in a water nanodroplet
  35. Proton sharing on titania surfaces
  36. High Pressure Dehydration of Water-Ethanol Solution
  37. Water in zeolite L and its MOF mimic
  38. Water in zeolite L and its MOF mimic
  39. Computational Modeling of Open Framework Silicates: Probing Straight Bond Angles in Ferrierite Reveals Intriguing Links Between Mineralogy, Nanomaterial Science and Technological Applications
  40. Computational modeling of open framework silicates: the case of ferrierite reveals intriguing links between mineralogy, material science, and applications
  41. Formation of polypeptides on titanium dioxide
  42. Ordering molecules in porous materials
  43. Ordering molecules in porous materials
  44. Understanding an efficient light harvesting material
  45. Dyes in zeolites at high pressure
  46. Manganese materials from plasma assisted vapor deposition
  47. Producing perfect precursors for manganese oxide nanomaterials
  48. The effect of pressure on zeolites
  49. Penetration of water and ethanol at high pressure in ferrierite
  50. Structural modification of gallium lanthanum sulfide glass induced by ultrafast laser inscription
  51. Pressure separates water-ethanol mixtures in zeolite pores (cover)
  52. Pressure separates water-ethanol mixtures in zeolite pores (cover)
  53. Pressure separates water-ethanol mixtures in zeolite pores
  54. Pressure separates water-ethanol mixtures in zeolite pores
  55. Backdonation from oxygen anions affects binding on TiO2 surfaces.
  56. Molecular machines in action
  57. How large molecules cross narrow pore entrances
  58. Behaviour of molecular precursors for Fe2O3 nanomaterials
  59. Behaviour at high pressure of a rubidium zeolite
  60. Preventing molecules to escape
  61. Channel entrances plugged by nanocorks
  62. A nanoladder of dye molecules
  63. Zinc Oxide Nanomaterials from Zn(II) complexes (cover picture)
  64. Zinc Oxide Nanomaterials from Zn(II) complexes
  65. Confining dye molecules in one dimensional channels
  66. How molecules are transformed to nanomaterials in chemical vapor deposition
  67. UV-Vis spectra of dye-zeolite composites
  68. The surface structure of TiO2 nanoparticles influences photocatalytic properties
  69. Steps on titania nanoparticles
  70. Molecular motion in nanochannels
  71. Adhesion of proteins on silica surfaces
  72. Iron oxide nanomaterials from chemical vapor deposition
  73. Synthesis of Fe2O3 thin films
  74. Reduction without reductants
  75. A dye-zeolite hybrid material explained
  76. Criteria for enzyme encapsulation in porous hosts
  77. Rolling molecules
  78. Hot-surface induced molecular rolling
  79. The location of Ti atoms in the TS-1 catalyst
  80. Vapor–liquid phase equilibria of water modelled by a Kim–Gordon potential
  81. l-Lactate dehydrogenation in flavocytochromeb2
  82. A good precursor for the chemical vapor deposition of copper oxides
  83. CVD Precursors for Mixed Cobalt-Copper Oxides
  84. Influence of silanols condensation on surface properties of micelle-templated silicas: A modelling study
  85. High pressure deformation mechanism of Li-ABW: Synchrotron XRPD study and ab initio molecular dynamics simulations
  86. Water and boron zeolites
  87. Water effects in titanium-zeolites
  88. Water effects in titanium zeolites (cover picture)
  89. Boron in zeolite frameworks
  90. Boron sites in different zeolites
  91. Boron in zeolites
  92. The role of the substrate in enzymatic dehydrogenations
  93. Gismondine under HP: Deformation mechanism and re-organization of the extra-framework species
  94. Properties of defect centres on nanothick silica layers: an ab initio investigation
  95. Titanium sites in mesoporous materials
  96. Uncovering the catalytic mechanism of titanium zeolites
  97. Excitation transfer in one-dimension by molecular collisions
  98. A density-functional approach to polarizable models: A Kim-Gordon response density interaction potential for molecular simulations
  99. Electronic spectra of titanium sites in zeolites.
  100. Water and ions in zeolites at high pressure
  101. High-pressure behaviour of yugawaralite at different water content: an ab initio study
  102. Water molecules escape one-by-one from confined water wires
  103. Defects in mesoporous materials
  104. Deformation of zeolites under pressure
  105. Rotation of molecules and ions in confined spaces: a first-principles simulation study
  106. Pressure effects on water wires
  107. Classical polarizable force fields parametrized from ab initio calculations
  108. A molecular picture of water-hydroxide solutions
  109. A theoretical investigation on pressure-induced changes in the vibrational spectrum of zeolite bikitaite
  110. Water in single file
  111. confined water chains
  112. Oxidation of nitrite via molecular oxygen
  113. Oxidation reactions by molecular oxygen in zeolites
  114. One-dimensional ice
  115. Stability of one-dimensional ice
  116. Gallium sites and zeolite acidity
  117. Study of electrostatic properties in three model sodalites: A different perspective on brønsted acidity and host-guest interactions in zeolitic cages
  118. Structure and Dynamics of a Brønsted Acid Site in a Zeolite:  An ab Initio Study of Hydrogen Sodalite
  119. A LCAO-LDF study of Br∅nsted acids chemisorption on ZnO(0001)