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The European Physical Journal B, ISSN 1434-6028, 1/2018, Volume 91, Issue 1, pp. 1 - 7
...)-functionalized carbon nanotubes (CNTs). To this aim, the optimized molecular properties were evaluated for (n, 0) models of CNTs (n = 3–16... 
Condensed Matter Physics | Solid State Physics | Fluid- and Aerodynamics | Complex Systems | Computational Methods | Physics, general | Physics | O-17 | TENSORS | PHYSICS, CONDENSED MATTER | BORON-NITRIDE NANOTUBES | SINGLE | B-11 | QUADRUPOLE RESONANCE PARAMETERS | N-14 | ELECTRIC-FIELD GRADIENT | WALLED CARBON NANOTUBES | BINDING
Journal Article
The New England journal of medicine, ISSN 1533-4406, 2017, Volume 377, Issue 14, pp. 1319 - 1330
Journal Article
Materials Science & Engineering C, ISSN 0928-4931, 03/2013, Volume 33, Issue 2, pp. 870 - 874
Journal Article
Journal of molecular liquids, ISSN 0167-7322, 07/2017, Volume 238, pp. 303 - 309
Density functional theory (DFT) calculations are performed to study the response of X12Y12 nanoclusters (Al12N12, Al12P12, B12N12, and B12P12) towards... 
Nanocluster | Density functional theory | Electronic properties | Thiophene | Sensor | DISPERSION CORRECTIONS | NANO-CAGE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | DEEP DESULFURIZATION | MOLYBDENUM SULFIDE | AL12N12 | NICKEL | SELECTIVE ADSORPTION | FUEL-CELL APPLICATIONS | DENSITY-FUNCTIONAL THEORY | JET FUEL
Journal Article
Vacuum, ISSN 0042-207X, 11/2016, Volume 133, pp. 70 - 80
.... Decoration of nickel on the surface of nano-cages delivers four distinct geometries. Hydrogen adsorption is studied on the surface of Ni-decorated Al12X12 (X = N, P... 
Al12N12 | Nickel | Nanostructure adsorbent | Hydrogen adsorption | Al12P12
Journal Article
Acta crystallographica. Section E, Structure reports online, ISSN 1600-5368, 09/2012, Volume 68, Issue 9, pp. m1226 - m1227
... [PMo12O40](3-) polyoxidoanions, which show characteristic features with respect to bond lengths and angles. One of the [CH3CH2C(OH) N(CH3)(2... 
CRYSTALLOGRAPHY
Journal Article
Journal of theoretical & computational chemistry, ISSN 0219-6336, 03/2018, Volume 17, Issue 2
...) onto four nanoclusters: X12Y12 (X = Al, B and Y = N, P). The interaction energy along with the adsorption energy was investigated, and it was found that DME... 
adsorption | Dimethyl ether | nanocluster | semiconductor | density functional theory | NANO-CLUSTERS | B12N12 | AB-INITIO | THEORETICAL PREDICTION | AL12N12 | DFT CALCULATIONS | CHEMISTRY, MULTIDISCIPLINARY | DECORATED B12P12 NANOCLUSTERS | QUANTUM-CHEMICAL CALCULATIONS | DENSITY-FUNCTIONAL THEORY | DOPED GRAPHENE
Journal Article
Journal Article
Journal Article
Polyhedron, ISSN 0277-5387, 2017, Volume 129, pp. 38 - 45
We report preparation of three lead(II) coordination polymers, [Pb(µ-L)(µ-Cl)2]n (1), [Pb(µ-L)(µ-Br)2]n (2), and [Pb(µ-L)(µ-I)2]n (3), (L=N,N′-bis(4-pyridylmethylidyne... 
Single crystal X-ray diffraction | Dipyridyl ligand | Photoluminescence property | Coordination polymer | NBO study | CONSTRUCTION | ACID SYNTHESES | CRYSTALLOGRAPHY | CHEMISTRY, INORGANIC & NUCLEAR | Cytokinins | Structure | Polymers | Crystals | Diffraction | Halides | Analysis | X-rays
Journal Article
Ceramics international, ISSN 0272-8842, 06/2015, Volume 41, Issue 5, pp. 6905 - 6911
.... The solution for electrospinning was prepared by dissolving zirconium n-propoxide (Zr(OPr)4) and boric acid in glacial acetic acid and 2,4-pentanedione followed by mixing in PVP/ethanol solution... 
Electrospinning | Zirconium n-propoxide | Polyvinylpyrrolidone | ZrB2 nanofibers | Low carbonization temperature | ZrB | nanofibers | TEMPERATURE SYNTHESIS | HEAT-TREATMENT | MATERIALS SCIENCE, CERAMICS | POWDERS | NANOPARTICLES | FIBERS | ZRO2 | POLYMER | FABRICATION | TITANIA
Journal Article
Synthesis, ISSN 0039-7881, 12/2011, Volume 2011, Issue 23, pp. 3915 - 3924
Abstract A facile and simple protocol for Ullmann-type N-arylation of nucleobases with aryl halides is described using copper nanoparticle-doped silica cuprous sulfate (CN-DSCS... 
paper | Ullmann-type reaction | CN-DSCS | heterogeneous catalysis | N-arylation | nucleobase | PYRIMIDINE-DERIVATIVES | ORDERED MESOPOROUS SILICA | ONE-STEP SYNTHESIS | NITROGEN-HETEROCYCLES | ONE-POT SYNTHESIS | CHEMISTRY, ORGANIC | ARYLBORONIC ACIDS | FUNCTIONALIZED MCM-41 | CHELATING RESINS | RAPID ENTRY | METAL-COMPLEXES
Journal Article
Superlattices and microstructures, ISSN 0749-6036, 09/2017, Volume 109, pp. 360 - 365
...–like structures, in which B/Al, N/P, and H/Me could be switched for X, Y, and Z, respectively... 
Density functional theory | Chemical shift | Borazine | Formation
Journal Article
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