Geometric parameters of selected

TABLE 2. Geometric parameters of selected peroxides R1 —O—O—R2 (H5C6)3COOH (H5C6)3COOC(C6H5)3... 

Experimental and computed geometrical parameters of selected Ln2X5 dimers bond distances in pm, bond angles in... 

Table 15.6 Geometric parameters of selected structurally characterized stibinidene and bismuthinidene complexes.

The geometric parameters of the three-membered ring sulfones and sulfoxides have been determined via X-ray diffraction techniques and gas-phase microwave spectroscopy. The accumulated data for some selected thiirane and thiirene oxides and dioxides (16-19) as well as for the corresponding thiirane (20) and the acyclic dimethyl sulfone (for the sake of comparison) are given in Table 3, together with the calculated values. 

Selected geometric parameters of crystal structures for complexes with (RSb)w (R = alkyl, aryl) ligands are listed in Table Y. 

Table 4.13. Selected geometrical parameters of highly multiple-bonded...

The compilations of the Ulm center served basis for the Landolt-Bbrnstein, New Series Vol. 11/7 containing the geometrical parameters of free polyatomic molecules determined by experimental techniques. This volume covers the period between 1960 and the middle of 1974. The critical and selective approach makes this volume even more valuable, and ways to make further steps in this direction have been suggested ... 

Figure 5 Selected geometrical parameters of the A, A, A", and A electronic states of 16 calculated at the CASSCF(10,10)/6-31G(d) level of theory.

FIGURE 21. Selected geometrical parameters of the transition structures for the epoxidation of ethylene with peroxyformic acid calculated at the QCISD/6-31G, CCD/6-31G (in parentheses), B3LYP/6-31G (in square brackets) and MP2(FC)/6-31G (in curly brackets) levels... 

Figure 1 Selected geometrical parameters of some 1,2-diazepines...

Table 3 Selected geometric parameters of thiepines (1 and 12) with Cs and C2 symmetries at the MP2(full)/6-31G and B3LYP/6-31G level of theory...

Geometrical parameters of 4H-1,2-oxazete 11 selected bond lengths (A) and bond angles at the HF/6-311G level... 

Some geometrical parameters for selected cases of cationic species of the type [R2SnD4]2+ which were characterized by X-ray analysis are given in Table 98. In all cases, complexes containing a C2O4 moiety (entries 1-5) consist of trans-octahedral... 

Fig. 24. Variation of the geometrical parameters of the lamellar structure of the copolymer SI. 823 containing 52% polystyrene with toluene concentration. Toluene is a non-selective solvent,...

Table 6. Selected Geometrical Parameters of 2-Fluorophenol, 2,6-Difluorophenol, and Tetrafluorohydroquinone3...

As in the case of phenolate anions, it is possible to stabilize anilinide anions by alkali metal cations. Figure 17 displays the selected optimized geometrical parameters of the... 

Figure 23 displays selected optimized geometrical parameters of the anilino radical in both lowest-lying doublet (2A") and quartet (4A") states. In both electronic states, the C—N bond distances are almost identical. The doublet state exhibits a quinoidal structure, whereas the quartet state geometry is characterized by long C2-C3 and C5-C6 distances (1.51 A). This basically corresponds to a triradical electronic structure in which two electrons are centered on two allyl-type moieties. 

FIGURE 26. Selected geometrical parameters of the aniline radical cation (2 B ). Bond lengths in angstroms and bond angles in degrees were obtained from UB3LYP/6-311++G(d,p) optimization... 

FIGURE 22. Selected B3LYP/6-311++G(d,p) geometrical parameters of the complexes between phenol and alkali metal cations. Bond lengths are in A... 

FIGURE 33. Selected B3LYP/6-311++G(d,p) geometric parameters of the (C6H60) + equilibrium stmctures considered. Bond distances are given in A and bond angles in deg. Adapted from Reference 452 with permission... 

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