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Data for article: Structure of Nanochannel Entrances in Zeolite L Composites

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posted on 2016-06-12, 16:41 authored by gloria tabacchigloria tabacchi, Ettore Fois, Gion Calzaferri
Supporting material for article:
Structure of Nanochannel Entrances in Stopcock-Functionalized Zeolite L Composites.

Published in:
Angewandte Chemie International Edition 08/2015; 54(38):11112-11116.
DOI:10.1002/anie.201504745

Link to VoR:
http://dx.doi.org/10.1002/anie.201504745

Link to green open access author version
https://figshare.com/articles/Structure_of_nanochannel_entrances_in_stopcock-functionalized_Zeolite_L/3798654

The file contains:
- Detailed description of the computational procedure
- Additional figures of the functionalized zeolite materials and of their channel openings

Funding

Italian MIUR. Grant Numbers: FIRB RBFR12CLQD, PRIN 2010CX2TLM_006 ISCRA. Grant Number: HP10B6JTDP

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    Keywords

    supramolecular chemistryzeoliteszeolite LAPTESfunctionalizationfunctional materialsartificial antennaselfassemblyinterface stabilizationwater stabilizationhydrationselective functionalizationselective modificationscross-linkingdensity functional calculationsMolecular Adhesionmolecular adsorbatesmolecular simulationmolecular adsorptionsupramolecular organizationadvanced materials fabricationbiomedical applicationsSolar Cell Applicationsdyedye-zeolite compositeshybrid compositesorganic-inorganicsupramolecular materialsmaterials sciencecomposite materialsbiocompatibleencapsulationself-assemblychromophoressolar energy concentratorssolar energynanocompositesnanoscience applicationsnanodevicesnanotechnologyporous materialsconfinementsequential insertionshost-guest materialsmodeling and simulationnanosciencenanomaterialsPhysical Chemistry of MaterialsPhysical Chemistry not elsewhere classifiedNanochemistry and Supramolecular ChemistryComputational ChemistryMacromolecular and Materials Chemistry not elsewhere classifiedSupramolecular ChemistryTheoretical and Computational Chemistry not elsewhere classifiedTheory and Design of MaterialsPhotonics, Optoelectronics and Optical CommunicationsCondensed Matter Modelling and Density Functional TheorySurfaces and Structural Properties of Condensed MatterComposite and Hybrid MaterialsFunctional MaterialsPhotodetectors, Optical Sensors and Solar CellsPhotonics and Electro-Optical Engineering (excl. Communications)BiomarkersSensory SystemsChemical Characterisation of MaterialsChemical Sciences not elsewhere classifiedMolecular PhysicsPhysical Organic ChemistryQuantum ChemistrySolid State ChemistrySynthesis of MaterialsMedical Biotechnology not elsewhere classifiedNanomaterialsNanotechnology not elsewhere classifiedColloid and Surface ChemistryOrganic Chemistry not elsewhere classifiedNanofabrication, Growth and Self AssemblyMolecular and Organic ElectronicsNanobiotechnologyNanoelectronics

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