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