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The 1,6-diazecine ring shows a chair conformation, with expected angles and bond distance values.
Additionally, bond distance, interaction energy, and atom charge of polymer surrogates molecules in the hydrated state were calculated.
The correlations between ɛd and cluster morphology parameters such as the PtPt bond distance dPtPt (strain effects), the PtM bond distance dPtM (interlayer ligand effects), and the choice of specific element M (pure ligand effects) are established.
In [0.45 CoBr2 + 0.55 LiBr](PEO 16 the Co is coordinated with three Br atoms with a bond distance of 2.40 Å and between two and three O atoms with a bond distance of 2.27 Å.
Furthermore, after the reductive reaction, nZVI and PEI nZVI were oxidized to Fe3O4, and bond distance values for the reacted samples were 1.94 Å and 1.96 Å, respectively.
The C C bond length of 1.314 Å in (TTF - 2A6NBT 2 is TTF - 2A6NBT 2–C bond disthece reported among the TTF moleculeshortestd so far.
Reversible adsorbate induced changes of the Pt nanoparticle structure were derived from changes in the PtPt coordination number and the corresponding bond distance.
bond distance 0.011 r.m.s.d.
The Mo OAsp bond distance is elongated to 2.102 Ǻ.
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The population centred at ~3.6 Å (b) and ~2.8 Å (c) are considered to be within hydrogen-bond distance.
The carboxylic acid group of UVI2008 is located in the anion-binding pocket, at hydrogen-bond distance of catalytically important residues Tyr49 and His111.
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