Experimental and calculated bond

Table 8.3 gives the experimental and calculated bond length and angles, and the calculated atomic charges, bonding radii, and the bond critical point densities, for the hydrides of the... 

Table 9.2 Experimental and Calculated Bond Lengths and Bond Angles and Calculated Atomic Charges and Bond Critical Point Densities for the Period 3 Chlorides...

Table 1 Experimental and Calculated Bond Distances and Experimental Bond Angles in Tris(4-methoxyphenyl)-l,2,3-triazine3...

Table 25. Comparison of experimental and calculated bond lengths...

Table 4. Experimental and Calculated Bond Lengths, Angles, 13C and 15N Chemical Shifts for 1,2,3-Triazines 1...

Table I Experimental and Calculated Bond Dissociation Energies (in eV) for Homonuclear Diatomics...

Overall there is reasonably good agreement between the calculated bond lengths and the experimental results obtained by microwave spectroscopy <6USP(7)58). In most cases, the difference between the experimental and calculated bond lengths are less than 0.04 A and the angles are within... 

Table 1. Selected experimental and calculated bond lengths and angles for 3,4,5 and (.

The action pattern and subsite map of a dextranase from Streptococcus mutans have been reported. The experimental and calculated bond-cleavage frequencies for the enzyme and its action on isomalto-oligosaccharides were compared (Scheme 8). 

Experimental and calculated bond distances (R) and valence angles (Z) calculated APT net atomic charges on the metal atoms (i m) mean bond energies at 0 K calculated from thermodynamic data, MBEexpi and the ratio between mean bond energies calculated from ionic models, MSEcaic, and the experimental values. Experimental data from [29-32]. The experimental bond distances are in most cases accurate to better than 2 pm. The experimental MBEs. are probably accurate to about 10 kJ mol . For information about calculated parameters, see text... 

Table 1 Experimental and calculated bond lengths (A) in RuCp2 and RuCpPy...

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