Exact(1)
In the functions, the name of an atom indicates its multiplicity.
Similar(59)
The size of the contribution of an orbital from a particular atom indicates the probability that the electron will be found on that atom.
The template is a tridentate ligand, in which the guide atom indicates the position of the chelated metal.
The red coloured atom indicates the position of the radioisotope introduced by radiolabeling.
The characteristic peak of the nitrogen atom indicates the disruption of π-conjugation on the outer layers of the carbon lattice.
The distance of 4.58 ± 0.20 Å and 6.25 ± 0.26 Å for the Nε and Nδ atoms with respect to the Fe atom indicates that H55 is in proximity to the CO in a manner that is evident from the DFT calculations discussed above (see Figure S5, Supporting Information).
The shortened C1 O1 bond and the elongated C1 C4 bond are consistent with an anomeric effect resulting from O lp1→σ*C1 N1 and O lp2→σ*C1 C4 interactions, while the geometry of the N1 atom indicates the beginning of the decomposition of the tetrahedral intermediate by the elimination of N CO) group.
The third product ion, [M – C5H8N2O]+, is generated by the loss of the methylpiperazine ring and an oxygen atom, indicating that the oxygen atom incorporated during the reaction is bound to the piperazine ring.
Blue spheres represent Ge atoms, cyan spheres represent Si atoms, while white spheres are H atoms used to saturate the dangling bonds (color online) Figure 10 Side (top panel) and top (bottom panel) view of the electron distribution probability when the hole position is fixed on top of the Ge atom indicated by a black dot.
Graphene usually grows where there exist Si atoms and the Si atoms are pushed to the front growth edge forming a local protrusion on the growth area behind the Si atom indicated by the circles and arrows in Fig. 3.
Two inhibitors are benzimidazole-like compounds that reversibly and competitively inhibit human DDAH-1 with Ligand Efficiency values ⩾0.3 kcal/mol/heavy (non-hydrogen) atom, indicating their suitability for further development.
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