Figure 5 shows the bond-angle distributions for the Ge and Sb atoms with Se-Ge-Se and Se-Sb-Se three-particle bond angles
. We calculated the three-particle bond-angle distributions using the final atomic configuration of the RMC algorithm, plotted both as the function of cos([THETA]) (scale below) and [THETA] (upper scale), where [THETA] represents the actual bond angle
O bond angle
is closest to 120[degrees] compared with that of the other species ([R.sub.2] = C[H.sub.2]Cl) in Table 2 and Figures 1(a) and 1(c).
Caption: FIGURE 2: Local configurations of the finite SWCNTs [8, k] (a) and DWCNTs [8, k]@[16, k + 2] (d); and the changes in bond length (b, e) and bond angle
(c, f) versus k.
PDB: Protein Data Bank H: [alpha]-Helix G: 3(10)-Helix E: [beta]-Sheet [tau]: N[C.sup.[alpha]]C bond angle
However, developers have taken the bond angle
a step further, tapping into the Tel Aviv Stock Exchange in Israel for big sums--affectionately known as the "real estate financing land of milk and honey."
Larger wavenumber is a result of the smaller P-O-P bond angle
. While, smaller bond angle
were results from shorter phosphate linkages or smaller metal cation size .
where [k.sub.r], [k.sub.[theta]], and [k.sub.[phi]] represent the bond stretching force constant, bond angle
variation force constant, and out-ofplane angle variation resistance, respectively.
The molecular modeling studies reflect the theoretical important application of these newly synthesized compounds in coordination chemistry that is, in determining the correct bond length, bond angle
as well as geometry, and so forth, and also open up the several opportunities to explore the biological potency of these compounds.
VC (%) CB-CG 1,523 0,011 1,500 1,544 0,754 CG-CD 1,525 0,013 1,509 1,568 0,873 CD-OE1 1,250 0,009 1,231 1,271 0,684 CB-CA 1,535 0,010 1,524 1,576 0,671 CA-C 1,524 0,008 1,502 1,540 0,504 C-O 1,245 0,010 1,213 1,261 0,833 CA-N 1,491 0,010 1,460 1,514 0,656 C-O1 1,247 0,006 1,237 1,257 0,477 CD-OE1 1,254 0,010 1,242 1,282 0,778 TABLE 3: Summary of descriptive statistic for bond angle
between heavy atoms of glutamate conformers.
NUMBER OF 1 EXAMPLES MOLECULAR BOND ANGLE
EQUIVALENT SHAPE BOND 2 [CO.sub.2] linear 180 [degrees] = [cos.sub.-1] (-1/1) 3 [NO.sup.3], trigonal 120 [degrees] = [cos.sub.-1] [BF.sup.3] planar (-1/2) 4 [CH.sup.4], tetrahedral 109.471 = [cos.sub.-1] [NH.sup.4+] [degrees] (-1/3) 5 [PF.sup.5] trigonal 90[degrees] = [cos.sub.-1] bipyramidal and 120 (-1/4) [degrees] 6 [SF.sup.6] octahedral 90 [degrees] = [cos.sub.-1] (-1/5) Table 1: the idealized equilibrium bond angles
in molecules with a central atom surrounded by 2, 3, 4, 5, and 6 equivalent bonds.
In these polymers, the deformation modes of a molecular chain are both bond stretching and bond angle
bending which have high force constants.