All Stories

  1. Thermal desorption kinetics and framework evolution in VOC-loaded FAU-Type zeolite Y: An in situ XRPD study
  2. Interaction of nitrogen mustard agents and their simulant with zinc oxide surfaces: a density functional theory study
  3. Direct Solvent‐Free Amide Bond Formation Catalyzed by Anatase‐TiO2 Surface: Insight from Modeling
  4. Impact of –OH surface defects on the electronic and structural properties of nickel oxide thin films
  5. Mechanistic insights into water-stabilized dye-neurotransmitter intermolecular complexes in zeolite channels
  6. Plasma-assisted fabrication of NiO nanoarchitectures: from design to oxygen evolution electrocatalysis
  7. Direct Solvent‐Free Amide Bond Formation Catalyzed by Anatase‐TiO2 Surface: Insight from Modeling
  8. On the Fragmentation of Ni(II) β-Diketonate-Diamine Complexes as Molecular Precursors for NiO Films: A Theoretical and Experimental Investigation
  9. On the Fragmentation of Ni(II) β-Diketonate- Diamine Complexes as Molecular Precursors for NiO Films: A Theoretical and Experimental Investigation
  10. Growth of NiO Thin Films in the Presence of Water Vapor: Insights from Experiments and Theory
  11. Location of Brønsted sites in deuterated L-zeolite: A combined neutron powder diffraction and computer modeling study
  12. Energy Transfer from Magnetic Iron Oxide Nanoparticles: Implications for Magnetic Hyperthermia
  13. Interplay between coordination sphere engineering and properties of nickel diketonate–diamine complexes as vapor phase precursors for the growth of NiO thin films
  14. Spontaneous polymerization of benzofulvene derivatives bearing complexed or un-complexed pyridine rings
  15. A versatile Fe(II) diketonate diamine adduct: Preparation, characterization and validation in the chemical vapor deposition of iron oxide nanomaterials
  16. Chemically Induced Mismatch of Rings and Stations in [3]Rotaxanes
  17. The Early Steps of Molecule-to-Material Conversion in Chemical Vapor Deposition (CVD): A Case Study
  18. The Early Steps of Molecule-to-Material Conversion in Chemical Vapor Deposition (CVD): A Case Study
  19. A molecular view on sunscreen
  20. A Post-HF Approach to the Sunscreen Octyl Methoxycinnamate
  21. The Early Steps of Molecule-to-Material Conversion in Chemical Vapor Deposition (CVD): A Case Study
  22. A Post-HF Approach to the Sunscreen Octyl Methoxycinnamate
  23. Steering polymer growth by molding nanochannels: 1,5-hexadiene polymerization in high silica mordenite
  24. Facile preparation of a cobalt diamine diketonate adduct as a potential vapor phase precursor for Co3O4films
  25. Precision Molecular Threading/Dethreading
  26. Refining molecular machines
  27. Polymerization in zeolite pores
  28. CP2K: An electronic structure and molecular dynamics software package
  29. Steering Polymer Growth by Molding Nanochannels: 1,5-Hexadiene Polymerization in High Silica Mordenite
  30. Nanoarchitectures for ethanol electrochemical valorization
  31. Straight bond angles in zeolite ferrierite
  32. Proton sharing on titanium dioxide surfaces
  33. Proton sharing on titanium dioxide surfaces
  34. Proton sharing on titanium dioxide surfaces
  35. Proton sharing on titanium dioxide surfaces
  36. High Pressure Dehydration of Water-Ethanol Solution
  37. Efficient sensors for chemical warfare agents
  38. Protein in a water nanodroplet
  39. Proton sharing on titania surfaces
  40. Quantum vs Thermal Effects in Formic Acid Adsorption on (101) TiO2 Anatase Surfaces
  41. High Pressure Dehydration of Water-Ethanol Solution
  42. High Pressure Dehydration of Water-Ethanol Solutions
  43. Water in zeolite L and its MOF mimic
  44. Water in zeolite L and its MOF mimic
  45. Water in zeolite L and its MOF mimic
  46. Computational Modeling of Open Framework Silicates: Probing Straight Bond Angles in Ferrierite Reveals Intriguing Links Between Mineralogy, Nanomaterial Science and Technological Applications
  47. Computational modeling of open framework silicates: the case of ferrierite reveals intriguing links between mineralogy, material science, and applications
  48. Formation of polypeptides on titanium dioxide
  49. Ordering molecules in porous materials
  50. Ordering molecules in porous materials
  51. Understanding an efficient light harvesting material
  52. Dyes in zeolites at high pressure
  53. Manganese materials from plasma assisted vapor deposition
  54. Producing perfect precursors for manganese oxide nanomaterials
  55. The effect of pressure on zeolites
  56. Penetration of water and ethanol at high pressure in ferrierite
  57. Structural modification of gallium lanthanum sulfide glass induced by ultrafast laser inscription
  58. Pressure separates water-ethanol mixtures in zeolite pores (cover)
  59. Pressure separates water-ethanol mixtures in zeolite pores (cover)
  60. Pressure separates water-ethanol mixtures in zeolite pores
  61. Pressure separates water-ethanol mixtures in zeolite pores
  62. Backdonation from oxygen anions affects binding on TiO2 surfaces.
  63. Molecular machines in action
  64. How large molecules cross narrow pore entrances
  65. Behaviour of molecular precursors for Fe2O3 nanomaterials
  66. Behaviour at high pressure of a rubidium zeolite
  67. Preventing molecules to escape
  68. Channel entrances plugged by nanocorks
  69. A nanoladder of dye molecules
  70. Zinc Oxide Nanomaterials from Zn(II) complexes (cover picture)
  71. Zinc Oxide Nanomaterials from Zn(II) complexes
  72. Confining dye molecules in one dimensional channels
  73. How molecules are transformed to nanomaterials in chemical vapor deposition
  74. UV-Vis spectra of dye-zeolite composites
  75. The surface structure of TiO2 nanoparticles influences photocatalytic properties
  76. Steps on titania nanoparticles
  77. Molecular motion in nanochannels
  78. Adhesion of proteins on silica surfaces
  79. Iron oxide nanomaterials from chemical vapor deposition
  80. Synthesis of Fe2O3 thin films
  81. Reduction without reductants
  82. A dye-zeolite hybrid material explained
  83. Criteria for enzyme encapsulation in porous hosts
  84. Rolling molecules
  85. Hot-surface induced molecular rolling
  86. The location of Ti atoms in the TS-1 catalyst
  87. Vapor–liquid phase equilibria of water modelled by a Kim–Gordon potential
  88. l-Lactate dehydrogenation in flavocytochromeb2
  89. A good precursor for the chemical vapor deposition of copper oxides
  90. CVD Precursors for Mixed Cobalt-Copper Oxides
  91. Influence of silanols condensation on surface properties of micelle-templated silicas: A modelling study
  92. High pressure deformation mechanism of Li-ABW: Synchrotron XRPD study and ab initio molecular dynamics simulations
  93. Water and boron zeolites
  94. Water effects in titanium-zeolites
  95. Water effects in titanium zeolites (cover picture)
  96. Boron in zeolite frameworks
  97. Boron sites in different zeolites
  98. Boron in zeolites
  99. The role of the substrate in enzymatic dehydrogenations
  100. Gismondine under HP: Deformation mechanism and re-organization of the extra-framework species
  101. Properties of defect centres on nanothick silica layers: an ab initio investigation
  102. Titanium sites in mesoporous materials
  103. Uncovering the catalytic mechanism of titanium zeolites
  104. Excitation transfer in one-dimension by molecular collisions
  105. A density-functional approach to polarizable models: A Kim-Gordon response density interaction potential for molecular simulations
  106. Electronic spectra of titanium sites in zeolites.
  107. Water and ions in zeolites at high pressure
  108. High-pressure behaviour of yugawaralite at different water content: an ab initio study
  109. Water molecules escape one-by-one from confined water wires
  110. Defects in mesoporous materials
  111. Deformation of zeolites under pressure
  112. Rotation of molecules and ions in confined spaces: a first-principles simulation study
  113. Pressure effects on water wires
  114. Classical polarizable force fields parametrized from ab initio calculations
  115. A molecular picture of water-hydroxide solutions
  116. A theoretical investigation on pressure-induced changes in the vibrational spectrum of zeolite bikitaite
  117. Water in single file
  118. confined water chains
  119. Oxidation of nitrite via molecular oxygen
  120. Oxidation reactions by molecular oxygen in zeolites
  121. One-dimensional ice
  122. Stability of one-dimensional ice
  123. Gallium sites and zeolite acidity
  124. Study of electrostatic properties in three model sodalites: A different perspective on brønsted acidity and host-guest interactions in zeolitic cages
  125. Structure and Dynamics of a Brønsted Acid Site in a Zeolite:  An ab Initio Study of Hydrogen Sodalite
  126. A LCAO-LDF study of Br∅nsted acids chemisorption on ZnO(0001)