Search results for "Ordered carbon"

showing 2 items of 2 documents

Modeling 21Ne NMR parameters for carbon nanosystems

2013

The potential of nuclear magnetic resonance (NMR) technique in probing the structure of porous systems including carbon nanostructures filled with inert gases is analysed theoretically using accurate calculations of neon (21Ne) nuclear magnetic shieldings. The CBS estimates of 21Ne NMR parameters were performed for single atom, its dimer and neon interacting with acetylene, ethylene and 1,3-cyclopentadiene. Several levels of theory including restricted Hartree-Fock (RHF), Møller-Plesset perturbation theory to the second order (MP2), density functional theory (DFT) with van Voorhis and Scuseria's t-dependent gradient-corrected correlation functional (VSXC), coupled cluster with single and do…

GIAO NMRmolecular modelingordered carbon structures21 Ne NMRMagnetic Resonance in Chemistry
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Enhanced H2O2 production over Au-rich bimetallic Au-Pd nanoparticles on ordered mesoporous carbons

2015

1 figures, 3 tables.-- © 2014. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/

Ordered carbonMaterials scienceHydrogenInorganic chemistrychemistry.chemical_elementNanoparticleGeneral ChemistryHydrogen peroxideCatalysisCatalysisMetalchemistry.chemical_compoundchemistryPd nanoparticlesvisual_artAuPd alloysAcid treatmentvisual_art.visual_art_mediumNanoparticlesHydrogen peroxideMesoporous materialCMK-3Bimetallic stripCatalysis Today 248: 48-57 (2015)
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