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Hundred helium atoms were positioned in the external spaces of a CNT in the unit cell of 1.7 × 3.0 × 3.0 nm3, and the amount of helium penetrating the internal nanopores was determined.
Other H atoms were positioned geometrically and refined using a riding model, with d C---H) = 0.93-0.97 Å and C---HH) = 1.2Ueq(C) or 1.5Ueq(Cmethyl).
All the non-hydrogen atoms were revealed in the first difference Fourier map itself.All the hydrogen atoms were positioned geometrically and refined using a riding model.
H atoms bonded to C and N atoms were positioned geometrically and allowed to ride on their parent atoms, with C H = 0.95 Å and N H = 0.88 Å.
All the C H hydrogen atoms were positioned geometrically and treated as riding atoms with C H = 0.93 Å and Uiso (H) = 1.2 Ueq (C) for aromatic carbon atoms.
Notably, the polarity of the hydrothermally grown ZnO NWs could be determined for the first time by STEM; because the O atoms were positioned just below the Zn atoms in the dumbbell pairs, the ZnO NWs possessed Zn polarity.
Similar(54)
(In all crystals the atoms are positioned in a regularly spaced three-dimensional array).
These minerals share a common structure type, and their atoms are positioned in a simple cubic closest-packed arrangement.
As molecules were examined, it was discovered that they have characteristic links between atoms and that the atoms are positioned in three-dimensional arrangements that are characteristic of the compound and of the constituent atoms.
The first parameter, the pucker phase P, represents the phase of the conformation and indicates which ring atoms are positioned out of the ring plane.
Atoms are positioned under the following spatial constraints that are intended to prevent unrealistic atomic potential overlap: dSi-N > 0.14 nm, dSi-Si > 0.23 nm, dN-N > 0.21 nm (values are based roughly on structural expectations [41], but are reduced for algorithm speed).
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CEO of Professional Science Editing for Scientists @ prosciediting.com