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