dihedral angle violation (°) Deviations from idealized geometry Bond lengths (Å) Bond angles (°) Impropers (°) Average pairwise r.m.s.d. (Å)y Heavy Backbone 22.5/31.0z 0.9/0.4 0/0 2.2 0 0.01 0.7 0 0.7 0.4 NMR, nuclear magnetic resonance. *Not used in the calculations, but...
aTb atomic gap errors. Various mean absolute deviation (MAD) metrics are used (see Supplementary Note2for details).bTbH3andcTbO molecular binding energy discrepancies. The shaded region indicates the band of chemical accuracy. The dashed vertical line represents the equilibrium geometry. In TbH3, ...
In general, such nanopore-based fabrication is carried out under parallel electron beam irradiation with relatively low beam energy. However, the geometry and size of 2D counterparts embedded in nanopores are constrained. To diminish the influence of the template, a novel strategy was proposed for ...
According to the literature, the geometry of ETL plays an important role in PSCs to maximize device performance. The implementation of TiO2 nanocolumns as an ETL presents great advantages compared to flat and mesoporous layers when constructing a PSC [27,33,34,35], as it provides greater stabi...
Cont. Refinement B-factors (Å2) Protein 11.5 Ligand (FMN) 8.0 Water molecules 21.1 R.m.s deviations Bond lengths (Å) 0.027 Bond angles (°) 2.460 a Values in parentheses are for the highest resolution shell (1.36–1.3 Å); b Rsym = Σh Σi [|Ii(h) − |/Σh Σi Ii(...