Histogram, showing distribution angles

FIGURE 6. Histogram showing distribution of calculated gas phase C—N—O angles in the aldoximes and ketoximes in Table 2... 

FIGURE 8. Histograms showing distributions of calculated gas phase H—C—N and R—C—N bond angles of the aldoximes and R —C—N and R"—C—N bond angles of the ketoximes in Table 2. Horizontal axes are the same in both cases... 

FIGURE 13. Histogram showing distribution of C—N—O bond angles in crystal phase oximes... 

Fig. 2.60. Histogram showing the distribution of O-Na-0 angles in a Na(H20)g cluster simulated at 298 K. (Reprinted from G. G. Malenkov, Models for the Structure of Hydrated Shells of Simple Ions Based on Crystal Structure Data and Computer Simulation, in The Chemical Physics of Solvation, Part A, R, R, Dogonadze, E, Kalman, A. A. Komyshev, and J, Ulstrup, eds, Elsevier, New York, 1985.)...

Fig. 21. The histograms show the distributions of total scattering angle a for the reflected atoms, (a) Ar+, 50 eV, 85°, bare Si and (b) C1+, 50 eV, 85°, 2.3-MI. Si -Cl. Filled circles represent the average reflected energy fraction corresponding to the reflection angle. Single-scatter (SS) soft-soft branch and double half-scatter (DHS) soft-soft branch model predictions for (a) jjL = 1.43 and (b) jjL = 1.0 also shown for comparison with data from simulation.

Fig. 13.21. Histograms of dihedral angles for fragments which are representative for the nine flexible bonds in the inhibitor methotrexate data taken from small molecule crystal structures (for data with trigonal planar and pyramidal geometry at N have been considered). For each fragment the local symmetry has been taken into account. Some of the angles exhibit clear conformational preferences, others show a broad distribution. The torsion angles for the conformation of methotrexate, adopted at the active site of DHFR (3DFR, 4DFR) from two species E. coli, 1. casei) and in small molecule crystal structures (DOJZADOl, QUIASPIO, FABVUZ (two independent molecules)) are indicated (lines to the right, protein data boldfaced)...

Figure 5. The upper histograms show the distribution of the angles of the incident polarization for maximal fluorescence intensity of molecules in...

Figure 12.8 Histogram showing the distribution of the measured fiber orientation angles of DM-A and DM-B surfaces [57],...

Figure 9 A VISTA histogram showing the distribution of torsion angles for cyclopropyl-carbonyl fragments. The cis (r (r — 180 ) bisected conformations of the carbonyl group with respect to the ring are clearly preferred...

The dependence of thelC fOHj) interaction on distance is shown in Fig. 2.58. The ion-0 radial distribution functions for Na fHjO) and K fHjO) clusters are shown in Fig. 2.59. A histogram that illustrates the distribution of O-Na-0 angles in an NafHjO) cluster (simulated at 298 K) is shown in Fig. 2.60. Finally, Fig. 2.61 shows the number of water molecules in a sphere of radius r within the cluster. 

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